1-[3-(2-methylphenyl)phenyl]-N-(oxan-3-ylmethyl)piperidin-4-amine

C24H32N2O — CID 45213648

IUPAC1-[3-(2-methylphenyl)phenyl]-N-(oxan-3-ylmethyl)piperidin-4-amine
SMILESCc1ccccc1-c1cccc(N2CCC(NCC3CCCOC3)CC2)c1
InChIInChI=1S/C24H32N2O/c1-19-6-2-3-10-24(19)21-8-4-9-23(16-21)26-13-11-22(12-14-26)25-17-20-7-5-15-27-18-20/h2-4,6,8-10,16,20,22,25H,5,7,11-15,17-18H2,1H3
InChIKeyHKAULDVXNZREEO-UHFFFAOYSA-N
MW364.53 g/mol
LogP4.65
Rot. Bonds5

About 1-[3-(2-methylphenyl)phenyl]-N-(oxan-3-ylmethyl)piperidin-4-amine

1-[3-(2-methylphenyl)phenyl]-N-(oxan-3-ylmethyl)piperidin-4-amine (PubChem CID 45213648) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 1-[3-(2-methylphenyl)phenyl]-N-(oxan-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(2-methylphenyl)phenyl]-N-(oxan-3-ylmethyl)piperidin-4-amine
PubChem CID45213648
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name1-[3-(2-methylphenyl)phenyl]-N-(oxan-3-ylmethyl)piperidin-4-amine
SMILESCc1ccccc1-c1cccc(N2CCC(NCC3CCCOC3)CC2)c1
InChIInChI=1S/C24H32N2O/c1-19-6-2-3-10-24(19)21-8-4-9-23(16-21)26-13-11-22(12-14-26)25-17-20-7-5-15-27-18-20/h2-4,6,8-10,16,20,22,25H,5,7,11-15,17-18H2,1H3
InChIKeyHKAULDVXNZREEO-UHFFFAOYSA-N
XLogP4.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-[[(3R)-oxan-3-yl]methylamino]piperidin-1-yl]phenyl]pyrrolidin-2-one
CID 31045053
1-[3-(4-fluorophenyl)phenyl]-N-(oxolan-2-ylmethyl)piperidin-4-amine
CID 45177170
2-[4-methyl-6-[4-[[(3S)-oxolan-3-yl]methylamino]piperidin-1-yl]pyrimidin-2-yl]phenol
CID 136831945
1-[3-(2-methylphenyl)phenyl]-N-(1-pyrazin-2-ylpropan-2-yl)piperidin-4-amine
CID 45248000
1-[1-[3-(2-methylphenyl)phenyl]piperidin-4-yl]piperidine-4-carbonitrile
CID 46988681
1-(6-chloro-1,3-benzothiazol-2-yl)-N-(oxan-3-ylmethyl)piperidin-4-amine
CID 72879104
N-methyl-1-[[3-(2-methylphenyl)phenyl]methyl]pyrrolidin-3-amine
CID 166218883
1-[3-(1H-inden-2-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]piperidin-4-amine
CID 147483769
N,N-dimethyl-4-(oxan-3-ylmethylamino)piperidine-1-carboxamide
CID 83202568
N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenylphenyl)piperidin-4-amine
CID 31134379
3,4-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine
CID 64747200
cyclopropyl-[4-[[3-(2-methylphenyl)phenyl]methylamino]piperidin-1-yl]methanone
CID 56827303

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylphenyl)phenyl]-N-(oxan-3-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-[3-(2-methylphenyl)phenyl]-N-(oxan-3-ylmethyl)piperidin-4-amine (CID 45213648) is 1-[3-(2-methylphenyl)phenyl]-N-(oxan-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-[3-(2-methylphenyl)phenyl]-N-(oxan-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-[3-(2-methylphenyl)phenyl]-N-(oxan-3-ylmethyl)piperidin-4-amine is Cc1ccccc1-c1cccc(N2CCC(NCC3CCCOC3)CC2)c1.
What is the InChIKey of 1-[3-(2-methylphenyl)phenyl]-N-(oxan-3-ylmethyl)piperidin-4-amine?
The InChIKey is HKAULDVXNZREEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-19-6-2-3-10-24(19)21-8-4-9-23(16-21)26-13-11-22(12-14-26)25-17-20-7-5-15-27-18-20/h2-4,6,8-10,16,20,22,25H,5,7,11-15,17-18H2,1H3.
What are the key properties of 1-[3-(2-methylphenyl)phenyl]-N-(oxan-3-ylmethyl)piperidin-4-amine?
1-[3-(2-methylphenyl)phenyl]-N-(oxan-3-ylmethyl)piperidin-4-amine has a molecular weight of 364.53 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylphenyl)phenyl]-N-(oxan-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 45213648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).