2-(1-benzylpiperidin-3-yl)oxan-4-amine

C17H26N2O — CID 130880845

IUPAC2-(1-benzylpiperidin-3-yl)oxan-4-amine
SMILESNC1CCOC(C2CCCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C17H26N2O/c18-16-8-10-20-17(11-16)15-7-4-9-19(13-15)12-14-5-2-1-3-6-14/h1-3,5-6,15-17H,4,7-13,18H2
InChIKeyDDCWJVVVXSNBGZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.40
Rot. Bonds3

About 2-(1-benzylpiperidin-3-yl)oxan-4-amine

2-(1-benzylpiperidin-3-yl)oxan-4-amine (PubChem CID 130880845) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-3-yl)oxan-4-amine.

Molecular Properties

Compound Name2-(1-benzylpiperidin-3-yl)oxan-4-amine
PubChem CID130880845
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(1-benzylpiperidin-3-yl)oxan-4-amine
SMILESNC1CCOC(C2CCCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C17H26N2O/c18-16-8-10-20-17(11-16)15-7-4-9-19(13-15)12-14-5-2-1-3-6-14/h1-3,5-6,15-17H,4,7-13,18H2
InChIKeyDDCWJVVVXSNBGZ-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-benzylpiperidin-3-yl)oxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(4-aminooxan-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 167817879
(1R,6R)-3-benzyl-7-oxa-3-azabicyclo[4.2.0]octane
CID 71244864
(3aR,4S,7aR)-2-benzyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 98166877
(3aR,4R,7aS)-2-benzyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 82390798
(3R)-1-[(4-phenylphenyl)methyl]piperidin-3-amine
CID 102977250
3-benzyl-3-azabicyclo[3.1.1]heptan-6-amine;dihydrochloride
CID 154704150
1-benzyl-3-(chloromethyl)piperidine;hydrochloride
CID 53433579
(4aS,8aS)-6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine
CID 124833174
1-benzyl-3-methylpiperidine
CID 2794856
CID 59694689
CID 59694689
4-benzyl-2-piperidin-2-ylmorpholine
CID 82380108
(1-benzylazepan-3-yl)methanamine
CID 15718476

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-3-yl)oxan-4-amine?
The IUPAC name of 2-(1-benzylpiperidin-3-yl)oxan-4-amine (CID 130880845) is 2-(1-benzylpiperidin-3-yl)oxan-4-amine.
What is the SMILES notation for 2-(1-benzylpiperidin-3-yl)oxan-4-amine?
The canonical SMILES for 2-(1-benzylpiperidin-3-yl)oxan-4-amine is NC1CCOC(C2CCCN(Cc3ccccc3)C2)C1.
What is the InChIKey of 2-(1-benzylpiperidin-3-yl)oxan-4-amine?
The InChIKey is DDCWJVVVXSNBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c18-16-8-10-20-17(11-16)15-7-4-9-19(13-15)12-14-5-2-1-3-6-14/h1-3,5-6,15-17H,4,7-13,18H2.
What are the key properties of 2-(1-benzylpiperidin-3-yl)oxan-4-amine?
2-(1-benzylpiperidin-3-yl)oxan-4-amine has a molecular weight of 274.41 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-3-yl)oxan-4-amine is sourced from PubChem (CID 130880845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).