[2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]phenyl]methanamine

C20H26N2 — CID 16774933

IUPAC[2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]phenyl]methanamine
SMILESCC1CCCN(Cc2ccc(-c3ccccc3CN)cc2)C1
InChIInChI=1S/C20H26N2/c1-16-5-4-12-22(14-16)15-17-8-10-18(11-9-17)20-7-3-2-6-19(20)13-21/h2-3,6-11,16H,4-5,12-15,21H2,1H3
InChIKeySBCYUGQLZQSUPV-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.04
Rot. Bonds4

About [2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]phenyl]methanamine

[2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]phenyl]methanamine (PubChem CID 16774933) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is [2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]phenyl]methanamine
PubChem CID16774933
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name[2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]phenyl]methanamine
SMILESCC1CCCN(Cc2ccc(-c3ccccc3CN)cc2)C1
InChIInChI=1S/C20H26N2/c1-16-5-4-12-22(14-16)15-17-8-10-18(11-9-17)20-7-3-2-6-19(20)13-21/h2-3,6-11,16H,4-5,12-15,21H2,1H3
InChIKeySBCYUGQLZQSUPV-UHFFFAOYSA-N
XLogP4.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methanamine
CID 16793650
1-benzyl-3-methylpiperidine
CID 2794856
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 51531591
4-[[(3S)-3-methylpiperidin-1-yl]methyl]aniline
CID 28720719
(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine
CID 42550070
[2-methoxy-5-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341268
(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587
2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]acetonitrile
CID 82135670
(3S)-1-[(4-tert-butylphenyl)methyl]-3-methylpiperidine
CID 158164357
1-[(2-bromophenyl)methyl]-3-methylpiperidine
CID 60644748
3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 58659547
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 55069877

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]phenyl]methanamine?
The IUPAC name of [2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]phenyl]methanamine (CID 16774933) is [2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]phenyl]methanamine.
What is the SMILES notation for [2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]phenyl]methanamine?
The canonical SMILES for [2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]phenyl]methanamine is CC1CCCN(Cc2ccc(-c3ccccc3CN)cc2)C1.
What is the InChIKey of [2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]phenyl]methanamine?
The InChIKey is SBCYUGQLZQSUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-16-5-4-12-22(14-16)15-17-8-10-18(11-9-17)20-7-3-2-6-19(20)13-21/h2-3,6-11,16H,4-5,12-15,21H2,1H3.
What are the key properties of [2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]phenyl]methanamine?
[2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]phenyl]methanamine has a molecular weight of 294.44 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]phenyl]methanamine is sourced from PubChem (CID 16774933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).