1-benzyl-N-(oxolan-3-yl)piperidin-3-amine

C16H24N2O — CID 64590674

IUPAC1-benzyl-N-(oxolan-3-yl)piperidin-3-amine
SMILESc1ccc(CN2CCCC(NC3CCOC3)C2)cc1
InChIInChI=1S/C16H24N2O/c1-2-5-14(6-3-1)11-18-9-4-7-15(12-18)17-16-8-10-19-13-16/h1-3,5-6,15-17H,4,7-13H2
InChIKeySMYVJGORTDSICT-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.03
Rot. Bonds4

About 1-benzyl-N-(oxolan-3-yl)piperidin-3-amine

1-benzyl-N-(oxolan-3-yl)piperidin-3-amine (PubChem CID 64590674) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-benzyl-N-(oxolan-3-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(oxolan-3-yl)piperidin-3-amine
PubChem CID64590674
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-benzyl-N-(oxolan-3-yl)piperidin-3-amine
SMILESc1ccc(CN2CCCC(NC3CCOC3)C2)cc1
InChIInChI=1S/C16H24N2O/c1-2-5-14(6-3-1)11-18-9-4-7-15(12-18)17-16-8-10-19-13-16/h1-3,5-6,15-17H,4,7-13H2
InChIKeySMYVJGORTDSICT-UHFFFAOYSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-ethylphenyl)methyl]-N-(oxan-4-yl)piperidin-3-amine
CID 136559212
1-benzyl-N-(thian-4-yl)piperidin-3-amine
CID 60761750
1-benzyl-N-(3-methylcyclopentyl)piperidin-3-amine
CID 64592184
(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]-N-(oxan-4-yl)piperidin-3-amine
CID 92664819
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
N-(1-benzylpyrrolidin-3-yl)-1-methylazepan-4-amine
CID 65070074
3-[[(1-benzylpiperidin-3-yl)amino]methyl]oxolan-3-ol
CID 103904817
1-benzyl-N-(2,2-dimethylcyclopentyl)piperidin-3-amine
CID 79865795
(2S)-4-benzyl-N-[(3S)-oxan-3-yl]morpholine-2-carboxamide
CID 99846749
1-benzyl-N-(2-fluoroethyl)piperidin-3-amine
CID 80695683
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 83999105

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(oxolan-3-yl)piperidin-3-amine?
The IUPAC name of 1-benzyl-N-(oxolan-3-yl)piperidin-3-amine (CID 64590674) is 1-benzyl-N-(oxolan-3-yl)piperidin-3-amine.
What is the SMILES notation for 1-benzyl-N-(oxolan-3-yl)piperidin-3-amine?
The canonical SMILES for 1-benzyl-N-(oxolan-3-yl)piperidin-3-amine is c1ccc(CN2CCCC(NC3CCOC3)C2)cc1.
What is the InChIKey of 1-benzyl-N-(oxolan-3-yl)piperidin-3-amine?
The InChIKey is SMYVJGORTDSICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-5-14(6-3-1)11-18-9-4-7-15(12-18)17-16-8-10-19-13-16/h1-3,5-6,15-17H,4,7-13H2.
What are the key properties of 1-benzyl-N-(oxolan-3-yl)piperidin-3-amine?
1-benzyl-N-(oxolan-3-yl)piperidin-3-amine has a molecular weight of 260.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(oxolan-3-yl)piperidin-3-amine is sourced from PubChem (CID 64590674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).