1-methyl-N-(4-phenylbutan-2-yl)piperidin-3-amine

C16H26N2 — CID 61210453

IUPAC1-methyl-N-(4-phenylbutan-2-yl)piperidin-3-amine
SMILESCC(CCc1ccccc1)NC1CCCN(C)C1
InChIInChI=1S/C16H26N2/c1-14(10-11-15-7-4-3-5-8-15)17-16-9-6-12-18(2)13-16/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3
InChIKeyAIMSTFVSBZXAAD-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.69
Rot. Bonds5

About 1-methyl-N-(4-phenylbutan-2-yl)piperidin-3-amine

1-methyl-N-(4-phenylbutan-2-yl)piperidin-3-amine (PubChem CID 61210453) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-methyl-N-(4-phenylbutan-2-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-(4-phenylbutan-2-yl)piperidin-3-amine
PubChem CID61210453
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-methyl-N-(4-phenylbutan-2-yl)piperidin-3-amine
SMILESCC(CCc1ccccc1)NC1CCCN(C)C1
InChIInChI=1S/C16H26N2/c1-14(10-11-15-7-4-3-5-8-15)17-16-9-6-12-18(2)13-16/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3
InChIKeyAIMSTFVSBZXAAD-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine
CID 61461386
4-[3-[(1-methylpiperidin-3-yl)amino]butyl]phenol
CID 61212712
N-(4-phenylbutan-2-yl)cyclohexanamine
CID 10633307
1-methyl-5-(4-phenylbutan-2-ylamino)piperidin-2-one
CID 64654292
N-butan-2-yl-1-methylpiperidin-3-amine
CID 61211214
1,1-dioxo-N-(4-phenylbutan-2-yl)thian-4-amine
CID 43511639
1-benzyl-N-butan-2-ylpiperidin-3-amine
CID 43145137
1-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidin-3-amine
CID 55141211
N-[1-(4-methoxyphenyl)propan-2-yl]-1-methylpiperidin-3-amine
CID 61210662
(2R)-N-[(3S)-1-methylpiperidin-3-yl]-2-phenylmethoxypropanamide
CID 94194356
N-(4-phenylbutan-2-yl)oxolan-3-amine
CID 63331840
1-methyl-N-phenylmethoxypiperidin-3-amine
CID 82710116

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-phenylbutan-2-yl)piperidin-3-amine?
The IUPAC name of 1-methyl-N-(4-phenylbutan-2-yl)piperidin-3-amine (CID 61210453) is 1-methyl-N-(4-phenylbutan-2-yl)piperidin-3-amine.
What is the SMILES notation for 1-methyl-N-(4-phenylbutan-2-yl)piperidin-3-amine?
The canonical SMILES for 1-methyl-N-(4-phenylbutan-2-yl)piperidin-3-amine is CC(CCc1ccccc1)NC1CCCN(C)C1.
What is the InChIKey of 1-methyl-N-(4-phenylbutan-2-yl)piperidin-3-amine?
The InChIKey is AIMSTFVSBZXAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14(10-11-15-7-4-3-5-8-15)17-16-9-6-12-18(2)13-16/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3.
What are the key properties of 1-methyl-N-(4-phenylbutan-2-yl)piperidin-3-amine?
1-methyl-N-(4-phenylbutan-2-yl)piperidin-3-amine has a molecular weight of 246.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-phenylbutan-2-yl)piperidin-3-amine is sourced from PubChem (CID 61210453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).