N-benzyl-N-(oxolan-2-ylmethyl)-1-piperidin-4-ylmethanamine;hydrochloride

C18H29ClN2O — CID 119930857

IUPACN-benzyl-N-(oxolan-2-ylmethyl)-1-piperidin-4-ylmethanamine;hydrochloride
SMILESCl.c1ccc(CN(CC2CCNCC2)CC2CCCO2)cc1
InChIInChI=1S/C18H28N2O.ClH/c1-2-5-16(6-3-1)13-20(15-18-7-4-12-21-18)14-17-8-10-19-11-9-17;/h1-3,5-6,17-19H,4,7-15H2;1H
InChIKeyPVYHCMYXCQNABL-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.09
Rot. Bonds6

About N-benzyl-N-(oxolan-2-ylmethyl)-1-piperidin-4-ylmethanamine;hydrochloride

N-benzyl-N-(oxolan-2-ylmethyl)-1-piperidin-4-ylmethanamine;hydrochloride (PubChem CID 119930857) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is N-benzyl-N-(oxolan-2-ylmethyl)-1-piperidin-4-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-N-(oxolan-2-ylmethyl)-1-piperidin-4-ylmethanamine;hydrochloride
PubChem CID119930857
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC NameN-benzyl-N-(oxolan-2-ylmethyl)-1-piperidin-4-ylmethanamine;hydrochloride
SMILESCl.c1ccc(CN(CC2CCNCC2)CC2CCCO2)cc1
InChIInChI=1S/C18H28N2O.ClH/c1-2-5-16(6-3-1)13-20(15-18-7-4-12-21-18)14-17-8-10-19-11-9-17;/h1-3,5-6,17-19H,4,7-15H2;1H
InChIKeyPVYHCMYXCQNABL-UHFFFAOYSA-N
XLogP3.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-benzyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61014418
3-[[cyclobutylmethyl(oxolan-2-ylmethyl)amino]methyl]benzoic acid
CID 122560301
N-benzyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine
CID 119930432
N'-benzyl-N-cyclohexyl-N'-(piperidin-4-ylmethyl)methanediamine
CID 123661547
2-[benzyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 60514317
6-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]pyridin-2-amine
CID 99800051
N-benzyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide
CID 119747376
N-benzyl-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 60565455
1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine
CID 45198131
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-1-(oxolan-2-yl)methanamine
CID 120751377
(2R)-1-[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenoxypropan-2-ol
CID 129419580
N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 86323590

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(oxolan-2-ylmethyl)-1-piperidin-4-ylmethanamine;hydrochloride?
The IUPAC name of N-benzyl-N-(oxolan-2-ylmethyl)-1-piperidin-4-ylmethanamine;hydrochloride (CID 119930857) is N-benzyl-N-(oxolan-2-ylmethyl)-1-piperidin-4-ylmethanamine;hydrochloride.
What is the SMILES notation for N-benzyl-N-(oxolan-2-ylmethyl)-1-piperidin-4-ylmethanamine;hydrochloride?
The canonical SMILES for N-benzyl-N-(oxolan-2-ylmethyl)-1-piperidin-4-ylmethanamine;hydrochloride is Cl.c1ccc(CN(CC2CCNCC2)CC2CCCO2)cc1.
What is the InChIKey of N-benzyl-N-(oxolan-2-ylmethyl)-1-piperidin-4-ylmethanamine;hydrochloride?
The InChIKey is PVYHCMYXCQNABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-2-5-16(6-3-1)13-20(15-18-7-4-12-21-18)14-17-8-10-19-11-9-17;/h1-3,5-6,17-19H,4,7-15H2;1H.
What are the key properties of N-benzyl-N-(oxolan-2-ylmethyl)-1-piperidin-4-ylmethanamine;hydrochloride?
N-benzyl-N-(oxolan-2-ylmethyl)-1-piperidin-4-ylmethanamine;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(oxolan-2-ylmethyl)-1-piperidin-4-ylmethanamine;hydrochloride is sourced from PubChem (CID 119930857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).