3-(4-benzylpiperidin-1-yl)oxan-4-amine

C17H26N2O — CID 43608816

IUPAC3-(4-benzylpiperidin-1-yl)oxan-4-amine
SMILESNC1CCOCC1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c18-16-8-11-20-13-17(16)19-9-6-15(7-10-19)12-14-4-2-1-3-5-14/h1-5,15-17H,6-13,18H2
InChIKeyHRNAILOVJOWBCA-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.06
Rot. Bonds3

About 3-(4-benzylpiperidin-1-yl)oxan-4-amine

3-(4-benzylpiperidin-1-yl)oxan-4-amine (PubChem CID 43608816) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)oxan-4-amine.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)oxan-4-amine
PubChem CID43608816
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-(4-benzylpiperidin-1-yl)oxan-4-amine
SMILESNC1CCOCC1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c18-16-8-11-20-13-17(16)19-9-6-15(7-10-19)12-14-4-2-1-3-5-14/h1-5,15-17H,6-13,18H2
InChIKeyHRNAILOVJOWBCA-UHFFFAOYSA-N
XLogP2.06
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-benzylpiperidin-1-yl)cyclohexan-1-amine
CID 62806898
cis-(1R,2S)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentan-1-amine
CID 23587488
3-(4-propylpiperazin-1-yl)oxan-4-amine
CID 43608787
cis-(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 131851979
(3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]oxolan-3-ol
CID 23587608
4-benzyl-1-methylpiperidine;ethane
CID 142009767
3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-amine
CID 62967867
3-phenylmethoxyoxan-4-amine;hydrochloride
CID 154733293
4-(4-benzylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-5-amine
CID 19137622
1-(4-benzylpiperidin-1-yl)-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]propan-1-one
CID 45242177
3-(4-phenylpyrazol-1-yl)oxan-4-amine
CID 62772194
4-benzyl-1-methoxypiperidine
CID 146666995

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)oxan-4-amine?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)oxan-4-amine (CID 43608816) is 3-(4-benzylpiperidin-1-yl)oxan-4-amine.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)oxan-4-amine?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)oxan-4-amine is NC1CCOCC1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)oxan-4-amine?
The InChIKey is HRNAILOVJOWBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c18-16-8-11-20-13-17(16)19-9-6-15(7-10-19)12-14-4-2-1-3-5-14/h1-5,15-17H,6-13,18H2.
What are the key properties of 3-(4-benzylpiperidin-1-yl)oxan-4-amine?
3-(4-benzylpiperidin-1-yl)oxan-4-amine has a molecular weight of 274.41 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)oxan-4-amine is sourced from PubChem (CID 43608816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).