4-[[3-(2-methylpropoxy)pyrrolidin-1-yl]methyl]piperidine;hydrochloride

C14H29ClN2O — CID 119932458

IUPAC4-[[3-(2-methylpropoxy)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
SMILESCC(C)COC1CCN(CC2CCNCC2)C1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-12(2)11-17-14-5-8-16(10-14)9-13-3-6-15-7-4-13;/h12-15H,3-11H2,1-2H3;1H
InChIKeyKOUCRYJXRNLBKR-UHFFFAOYSA-N
MW276.85 g/mol
LogP2.15
Rot. Bonds5

About 4-[[3-(2-methylpropoxy)pyrrolidin-1-yl]methyl]piperidine;hydrochloride

4-[[3-(2-methylpropoxy)pyrrolidin-1-yl]methyl]piperidine;hydrochloride (PubChem CID 119932458) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is 4-[[3-(2-methylpropoxy)pyrrolidin-1-yl]methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[[3-(2-methylpropoxy)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
PubChem CID119932458
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC Name4-[[3-(2-methylpropoxy)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
SMILESCC(C)COC1CCN(CC2CCNCC2)C1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-12(2)11-17-14-5-8-16(10-14)9-13-3-6-15-7-4-13;/h12-15H,3-11H2,1-2H3;1H
InChIKeyKOUCRYJXRNLBKR-UHFFFAOYSA-N
XLogP2.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.85
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-propan-2-yloxypyrrolidin-1-yl)methyl]piperidine
CID 165136671
4-(3-methylbutyl)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 119932466
4-[(3-cyclopropylpyrrolidin-1-yl)methyl]piperidine;hydrochloride
CID 120849683
2-[1-(piperidin-4-ylmethyl)piperidin-4-yl]oxyethanol;hydrochloride
CID 120851709
3-ethoxy-1-(pyrrolidin-3-ylmethyl)piperidine
CID 62370527
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]ethanol;hydrochloride
CID 119931316
1-methyl-4-(piperidin-4-ylmethyl)-2-propan-2-ylpiperazine;hydrochloride
CID 120849001
(3R)-1-(piperidin-4-ylmethyl)pyrrolidin-3-ol
CID 86323280
[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 112629419
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
3,5-dimethyl-1-(piperidin-4-ylmethyl)-1,4-diazepane
CID 171564874

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-methylpropoxy)pyrrolidin-1-yl]methyl]piperidine;hydrochloride?
The IUPAC name of 4-[[3-(2-methylpropoxy)pyrrolidin-1-yl]methyl]piperidine;hydrochloride (CID 119932458) is 4-[[3-(2-methylpropoxy)pyrrolidin-1-yl]methyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[[3-(2-methylpropoxy)pyrrolidin-1-yl]methyl]piperidine;hydrochloride?
The canonical SMILES for 4-[[3-(2-methylpropoxy)pyrrolidin-1-yl]methyl]piperidine;hydrochloride is CC(C)COC1CCN(CC2CCNCC2)C1.Cl.
What is the InChIKey of 4-[[3-(2-methylpropoxy)pyrrolidin-1-yl]methyl]piperidine;hydrochloride?
The InChIKey is KOUCRYJXRNLBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.ClH/c1-12(2)11-17-14-5-8-16(10-14)9-13-3-6-15-7-4-13;/h12-15H,3-11H2,1-2H3;1H.
What are the key properties of 4-[[3-(2-methylpropoxy)pyrrolidin-1-yl]methyl]piperidine;hydrochloride?
4-[[3-(2-methylpropoxy)pyrrolidin-1-yl]methyl]piperidine;hydrochloride has a molecular weight of 276.85 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-methylpropoxy)pyrrolidin-1-yl]methyl]piperidine;hydrochloride is sourced from PubChem (CID 119932458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).