4-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-4-amine;4-piperidin-3-ylmorpholine;4-piperidin-4-ylmorpholine;1-piperidin-4-ylpiperidine;4-pyrrolidin-1-ylpiperidine

C52H106N12O2 — CID 159628341

IUPAC4-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-4-amine;4-piperidin-3-ylmorpholine;4-piperidin-4-ylmorpholine;1-piperidin-4-ylpiperidine;4-pyrrolidin-1-ylpiperidine
SMILESC1CC(N2CCOCC2)CCN1.C1CCN(C2CCNCC2)C1.C1CCN(C2CCNCC2)CC1.C1CN(C2CCNCC2)C1.C1CNCC(N2CCOCC2)C1.CN(C)C1CCNCC1
InChIInChI=1S/C10H20N2.2C9H18N2O.C9H18N2.C8H16N2.C7H16N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10;1-3-10-4-2-9(1)11-5-7-12-8-6-11;1-2-9(8-10-3-1)11-4-6-12-7-5-11;1-2-8-11(7-1)9-3-5-10-6-4-9;1-6-10(7-1)8-2-4-9-5-3-8;1-9(2)7-3-5-8-6-4-7/h10-11H,1-9H2;2*9-10H,1-8H2;9-10H,1-8H2;8-9H,1-7H2;7-8H,3-6H2,1-2H3
InChIKeyMOUFLIPMDCAXDY-UHFFFAOYSA-N
MW931.50 g/mol
LogP2.94
Rot. Bonds6

About 4-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-4-amine;4-piperidin-3-ylmorpholine;4-piperidin-4-ylmorpholine;1-piperidin-4-ylpiperidine;4-pyrrolidin-1-ylpiperidine

4-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-4-amine;4-piperidin-3-ylmorpholine;4-piperidin-4-ylmorpholine;1-piperidin-4-ylpiperidine;4-pyrrolidin-1-ylpiperidine (PubChem CID 159628341) has the molecular formula C52H106N12O2 and a molecular weight of 931.50 g/mol. Its IUPAC name is 4-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-4-amine;4-piperidin-3-ylmorpholine;4-piperidin-4-ylmorpholine;1-piperidin-4-ylpiperidine;4-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name4-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-4-amine;4-piperidin-3-ylmorpholine;4-piperidin-4-ylmorpholine;1-piperidin-4-ylpiperidine;4-pyrrolidin-1-ylpiperidine
PubChem CID159628341
Molecular FormulaC52H106N12O2
Molecular Weight931.50 g/mol
Exact Mass930.86
IUPAC Name4-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-4-amine;4-piperidin-3-ylmorpholine;4-piperidin-4-ylmorpholine;1-piperidin-4-ylpiperidine;4-pyrrolidin-1-ylpiperidine
SMILESC1CC(N2CCOCC2)CCN1.C1CCN(C2CCNCC2)C1.C1CCN(C2CCNCC2)CC1.C1CN(C2CCNCC2)C1.C1CNCC(N2CCOCC2)C1.CN(C)C1CCNCC1
InChIInChI=1S/C10H20N2.2C9H18N2O.C9H18N2.C8H16N2.C7H16N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10;1-3-10-4-2-9(1)11-5-7-12-8-6-11;1-2-9(8-10-3-1)11-4-6-12-7-5-11;1-2-8-11(7-1)9-3-5-10-6-4-9;1-6-10(7-1)8-2-4-9-5-3-8;1-9(2)7-3-5-8-6-4-7/h10-11H,1-9H2;2*9-10H,1-8H2;9-10H,1-8H2;8-9H,1-7H2;7-8H,3-6H2,1-2H3
InChIKeyMOUFLIPMDCAXDY-UHFFFAOYSA-N
XLogP2.94
TPSA110.08 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500931.50
LogP ≤ 52.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze 4-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-4-amine;4-piperidin-3-ylmorpholine;4-piperidin-4-ylmorpholine;1-piperidin-4-ylpiperidine;4-pyrrolidin-1-ylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

4-[6-(4-Butan-2-ylpiperazin-1-yl)-4-butyl-5-(4-ethylpiperazin-1-yl)-5-(4-methylpiperazin-1-yl)-3-piperidin-1-yl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyrrolidin-1-ylpiperazin-2-yl]morpholine
CID 54563479
1,3-bis(4-methylpiperazin-1-yl)propan-2-amine;1-butylpiperidine;N,N-diethyl-2-methylpropan-1-amine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine
CID 91291877
3-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-3-amine;1-piperidin-3-ylpiperidine;4-pyrrolidin-3-ylmorpholine;1-pyrrolidin-3-ylpiperidine;3-pyrrolidin-1-ylpiperidine
CID 157063805
N,N-diethylpropan-2-amine;N,N-diethyl-1-propan-2-ylpyrrolidin-3-amine;N,N-dimethylpropan-2-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;N-ethyl-N-methylpropan-2-amine;N-ethyl-N-methyl-1-propan-2-ylpyrrolidin-3-amine;bis(N-ethylpropan-2-amine);1-ethyl-4-propan-2-ylpiperazine;N-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazetidine;N-propan-2-ylcyclopropanamine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);N-propan-2-ylpropan-1-amine;N-propan-2-ylpropan-2-amine;1-propan-2-ylpyrrolidine
CID 157129789
methane;3-methylbutan-1-amine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperazine);N-(3-methylbutyl)piperidin-4-amine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine
CID 157192131
(2S,6R)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;3,5-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]ethanone;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
CID 157377650
1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-methylpiperazine;1-tert-butylpiperazine;4-(1-tert-butylpiperidin-4-yl)morpholine
CID 157646828
N,N-dimethylethanamine;ethanamine;2-(ethylamino)ethanol;1-ethylazetidine;N-ethyl-2-methoxyethanamine;N-ethyl-2-methoxy-N-methylethanamine;2-[ethyl(methyl)amino]ethanol;1-ethyl-4-methylpiperazine;4-ethylmorpholine;1-ethylpiperazine;1-ethylpiperidine;1-ethylpyrrolidine;N-methylethanamine
CID 157725469
1,3-Dimethylpiperazine;1,4-dimethylpiperazine;1-methylazepane;6-methyl-3,6-diazabicyclo[3.1.1]heptane;1-methyl-1,4-diazepane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;2,4,6-trimethylmorpholine;1,2,5-trimethylpiperazine;1,3,5-trimethylpiperazine
CID 158000033
4-(azepan-4-yl)morpholine;4-(azetidin-1-yl)azepane;N,N-dimethylazepan-4-amine;4-piperidin-4-ylmorpholine;1-piperidin-4-ylpiperidine;4-pyrrolidin-1-ylazepane;4-pyrrolidin-1-ylpiperidine
CID 158052137
1-Tert-butylpiperazine;1-tert-butylpiperidine;methane;1-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine
CID 158169296
(2R,6S)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;(3R,5S)-3,5-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine;4-piperidin-1-yl-1-propan-2-ylpiperidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]ethanone;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;(2S,6R)-1,2,6-trimethyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 158193401

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-4-amine;4-piperidin-3-ylmorpholine;4-piperidin-4-ylmorpholine;1-piperidin-4-ylpiperidine;4-pyrrolidin-1-ylpiperidine?
The IUPAC name of 4-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-4-amine;4-piperidin-3-ylmorpholine;4-piperidin-4-ylmorpholine;1-piperidin-4-ylpiperidine;4-pyrrolidin-1-ylpiperidine (CID 159628341) is 4-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-4-amine;4-piperidin-3-ylmorpholine;4-piperidin-4-ylmorpholine;1-piperidin-4-ylpiperidine;4-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for 4-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-4-amine;4-piperidin-3-ylmorpholine;4-piperidin-4-ylmorpholine;1-piperidin-4-ylpiperidine;4-pyrrolidin-1-ylpiperidine?
The canonical SMILES for 4-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-4-amine;4-piperidin-3-ylmorpholine;4-piperidin-4-ylmorpholine;1-piperidin-4-ylpiperidine;4-pyrrolidin-1-ylpiperidine is C1CC(N2CCOCC2)CCN1.C1CCN(C2CCNCC2)C1.C1CCN(C2CCNCC2)CC1.C1CN(C2CCNCC2)C1.C1CNCC(N2CCOCC2)C1.CN(C)C1CCNCC1.
What is the InChIKey of 4-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-4-amine;4-piperidin-3-ylmorpholine;4-piperidin-4-ylmorpholine;1-piperidin-4-ylpiperidine;4-pyrrolidin-1-ylpiperidine?
The InChIKey is MOUFLIPMDCAXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.2C9H18N2O.C9H18N2.C8H16N2.C7H16N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10;1-3-10-4-2-9(1)11-5-7-12-8-6-11;1-2-9(8-10-3-1)11-4-6-12-7-5-11;1-2-8-11(7-1)9-3-5-10-6-4-9;1-6-10(7-1)8-2-4-9-5-3-8;1-9(2)7-3-5-8-6-4-7/h10-11H,1-9H2;2*9-10H,1-8H2;9-10H,1-8H2;8-9H,1-7H2;7-8H,3-6H2,1-2H3.
What are the key properties of 4-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-4-amine;4-piperidin-3-ylmorpholine;4-piperidin-4-ylmorpholine;1-piperidin-4-ylpiperidine;4-pyrrolidin-1-ylpiperidine?
4-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-4-amine;4-piperidin-3-ylmorpholine;4-piperidin-4-ylmorpholine;1-piperidin-4-ylpiperidine;4-pyrrolidin-1-ylpiperidine has a molecular weight of 931.50 g/mol, XLogP of 2.94, 6 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)piperidine;N,N-dimethylpiperidin-4-amine;4-piperidin-3-ylmorpholine;4-piperidin-4-ylmorpholine;1-piperidin-4-ylpiperidine;4-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 159628341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).