4-(aminomethyl)-N-methyl-1-phenyl-N-propan-2-ylpiperidin-4-amine

C16H27N3 — CID 106820460

IUPAC4-(aminomethyl)-N-methyl-1-phenyl-N-propan-2-ylpiperidin-4-amine
SMILESCC(C)N(C)C1(CN)CCN(c2ccccc2)CC1
InChIInChI=1S/C16H27N3/c1-14(2)18(3)16(13-17)9-11-19(12-10-16)15-7-5-4-6-8-15/h4-8,14H,9-13,17H2,1-3H3
InChIKeyWLQQVPZSMDBSID-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.32
Rot. Bonds4

About 4-(aminomethyl)-N-methyl-1-phenyl-N-propan-2-ylpiperidin-4-amine

4-(aminomethyl)-N-methyl-1-phenyl-N-propan-2-ylpiperidin-4-amine (PubChem CID 106820460) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-1-phenyl-N-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-1-phenyl-N-propan-2-ylpiperidin-4-amine
PubChem CID106820460
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name4-(aminomethyl)-N-methyl-1-phenyl-N-propan-2-ylpiperidin-4-amine
SMILESCC(C)N(C)C1(CN)CCN(c2ccccc2)CC1
InChIInChI=1S/C16H27N3/c1-14(2)18(3)16(13-17)9-11-19(12-10-16)15-7-5-4-6-8-15/h4-8,14H,9-13,17H2,1-3H3
InChIKeyWLQQVPZSMDBSID-UHFFFAOYSA-N
XLogP2.32
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-ethyl-1-phenyl-N-propan-2-ylpiperidin-4-amine
CID 106820470
3-(aminomethyl)-N,N-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-amine
CID 117012473
3-(aminomethyl)-N,N-dimethyl-1-(1-phenylethyl)pyrrolidin-3-amine
CID 117012449
1-phenyl-4-propan-2-ylpiperidin-4-ol
CID 106820875
3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpyrrolidin-3-amine
CID 43272771
3-(aminomethyl)-1-(2-chlorophenyl)-N,N-dimethylpyrrolidin-3-amine
CID 117012477
3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 117012470
1-(aminomethyl)-4-phenyl-N-propan-2-yl-N-propylcyclohexan-1-amine
CID 43269449
(4,4-dimethyl-1-phenylpiperidin-3-yl)methanamine
CID 117025761
4-(difluoromethyl)-1-phenylpiperidin-4-amine
CID 106821028
1-(aminomethyl)-N-benzyl-N-methylcyclopropan-1-amine
CID 106661010
4-pentan-2-yl-1-phenylpiperidin-4-ol
CID 114013455

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-1-phenyl-N-propan-2-ylpiperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-1-phenyl-N-propan-2-ylpiperidin-4-amine (CID 106820460) is 4-(aminomethyl)-N-methyl-1-phenyl-N-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-1-phenyl-N-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-1-phenyl-N-propan-2-ylpiperidin-4-amine is CC(C)N(C)C1(CN)CCN(c2ccccc2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-1-phenyl-N-propan-2-ylpiperidin-4-amine?
The InChIKey is WLQQVPZSMDBSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-14(2)18(3)16(13-17)9-11-19(12-10-16)15-7-5-4-6-8-15/h4-8,14H,9-13,17H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-methyl-1-phenyl-N-propan-2-ylpiperidin-4-amine?
4-(aminomethyl)-N-methyl-1-phenyl-N-propan-2-ylpiperidin-4-amine has a molecular weight of 261.41 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-1-phenyl-N-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 106820460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).