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

C65H132N14O2 — CID 158052137

IUPAC4-(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
SMILESC1CC(N2CCOCC2)CCN1.C1CCN(C2CCNCC2)C1.C1CCN(C2CCNCC2)CC1.C1CNCCC(N2CCC2)C1.C1CNCCC(N2CCCC2)C1.C1CNCCC(N2CCOCC2)C1.CN(C)C1CCCNCC1
InChIInChI=1S/C10H20N2O.2C10H20N2.C9H18N2O.2C9H18N2.C8H18N2/c1-2-10(3-5-11-4-1)12-6-8-13-9-7-12;1-2-9-12(8-1)10-4-3-6-11-7-5-10;1-2-8-12(9-3-1)10-4-6-11-7-5-10;1-3-10-4-2-9(1)11-5-7-12-8-6-11;1-3-9(4-6-10-5-1)11-7-2-8-11;1-2-8-11(7-1)9-3-5-10-6-4-9;1-10(2)8-4-3-6-9-7-5-8/h10-11H,1-9H2;2*10-11H,1-9H2;9-10H,1-8H2;2*9-10H,1-8H2;8-9H,3-7H2,1-2H3
InChIKeyFJPMWDAKCLAFFC-UHFFFAOYSA-N
MW1141.87 g/mol
LogP5.34
Rot. Bonds7

About 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

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 (PubChem CID 158052137) has the molecular formula C65H132N14O2 and a molecular weight of 1141.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID158052137
Molecular FormulaC65H132N14O2
Molecular Weight1141.87 g/mol
Exact Mass1141.07
IUPAC Name4-(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
SMILESC1CC(N2CCOCC2)CCN1.C1CCN(C2CCNCC2)C1.C1CCN(C2CCNCC2)CC1.C1CNCCC(N2CCC2)C1.C1CNCCC(N2CCCC2)C1.C1CNCCC(N2CCOCC2)C1.CN(C)C1CCCNCC1
InChIInChI=1S/C10H20N2O.2C10H20N2.C9H18N2O.2C9H18N2.C8H18N2/c1-2-10(3-5-11-4-1)12-6-8-13-9-7-12;1-2-9-12(8-1)10-4-3-6-11-7-5-10;1-2-8-12(9-3-1)10-4-6-11-7-5-10;1-3-10-4-2-9(1)11-5-7-12-8-6-11;1-3-9(4-6-10-5-1)11-7-2-8-11;1-2-8-11(7-1)9-3-5-10-6-4-9;1-10(2)8-4-3-6-9-7-5-8/h10-11H,1-9H2;2*10-11H,1-9H2;9-10H,1-8H2;2*9-10H,1-8H2;8-9H,3-7H2,1-2H3
InChIKeyFJPMWDAKCLAFFC-UHFFFAOYSA-N
XLogP5.34
TPSA125.35 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds7
Heavy Atoms81
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001141.87
LogP ≤ 55.34
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1CC(N2CCOCC2)CCN1.C1CCN(C2CCNCC2)C1.C1CCN(C2CCNCC2)CC1.C1CNCCC(N2CCC2)C1.C1CNCCC(N2CCCC2)C1.C1CNCCC(N2CCOCC2)C1.CN(C)C1CCCNCC1.
What is the InChIKey of 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?
The InChIKey is FJPMWDAKCLAFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.2C10H20N2.C9H18N2O.2C9H18N2.C8H18N2/c1-2-10(3-5-11-4-1)12-6-8-13-9-7-12;1-2-9-12(8-1)10-4-3-6-11-7-5-10;1-2-8-12(9-3-1)10-4-6-11-7-5-10;1-3-10-4-2-9(1)11-5-7-12-8-6-11;1-3-9(4-6-10-5-1)11-7-2-8-11;1-2-8-11(7-1)9-3-5-10-6-4-9;1-10(2)8-4-3-6-9-7-5-8/h10-11H,1-9H2;2*10-11H,1-9H2;9-10H,1-8H2;2*9-10H,1-8H2;8-9H,3-7H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1141.87 g/mol, XLogP of 5.34, 7 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158052137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).