(1-benzyl-3-methylpiperidin-4-yl)-phenylmethanamine

C20H26N2 — CID 3064195

IUPAC(1-benzyl-3-methylpiperidin-4-yl)-phenylmethanamine
SMILESCC1CN(Cc2ccccc2)CCC1C(N)c1ccccc1
InChIInChI=1S/C20H26N2/c1-16-14-22(15-17-8-4-2-5-9-17)13-12-19(16)20(21)18-10-6-3-7-11-18/h2-11,16,19-20H,12-15,21H2,1H3
InChIKeyJFURKDVVDKCMMS-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.84
Rot. Bonds4

About (1-benzyl-3-methylpiperidin-4-yl)-phenylmethanamine

(1-benzyl-3-methylpiperidin-4-yl)-phenylmethanamine (PubChem CID 3064195) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is (1-benzyl-3-methylpiperidin-4-yl)-phenylmethanamine.

Molecular Properties

Compound Name(1-benzyl-3-methylpiperidin-4-yl)-phenylmethanamine
PubChem CID3064195
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name(1-benzyl-3-methylpiperidin-4-yl)-phenylmethanamine
SMILESCC1CN(Cc2ccccc2)CCC1C(N)c1ccccc1
InChIInChI=1S/C20H26N2/c1-16-14-22(15-17-8-4-2-5-9-17)13-12-19(16)20(21)18-10-6-3-7-11-18/h2-11,16,19-20H,12-15,21H2,1H3
InChIKeyJFURKDVVDKCMMS-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
(3S,4S)-1-benzyl-4-chloro-3-methylpiperidine
CID 97176910
1-benzyl-N,N,3-trimethylpiperidin-4-amine
CID 71634856
(1S)-1-(1-benzylpyrrolidin-3-yl)propan-1-amine
CID 10443395
(1S)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanamine;dihydrochloride
CID 71741811
(1-benzyl-3-methylpiperidin-4-yl)methanol
CID 130927897
1-(1-benzylpyrrolidin-3-yl)-2-methylpropan-1-amine
CID 82390240
(3R,4S)-1-benzyl-3-methylpiperidine-4-carbaldehyde
CID 87248357
(3R)-1-benzyl-3-methylpyrrolidine;propane
CID 159003320
(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-amine
CID 92979356
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
1-benzyl-3-propan-2-ylpiperidin-4-ol
CID 23003711

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-3-methylpiperidin-4-yl)-phenylmethanamine?
The IUPAC name of (1-benzyl-3-methylpiperidin-4-yl)-phenylmethanamine (CID 3064195) is (1-benzyl-3-methylpiperidin-4-yl)-phenylmethanamine.
What is the SMILES notation for (1-benzyl-3-methylpiperidin-4-yl)-phenylmethanamine?
The canonical SMILES for (1-benzyl-3-methylpiperidin-4-yl)-phenylmethanamine is CC1CN(Cc2ccccc2)CCC1C(N)c1ccccc1.
What is the InChIKey of (1-benzyl-3-methylpiperidin-4-yl)-phenylmethanamine?
The InChIKey is JFURKDVVDKCMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-16-14-22(15-17-8-4-2-5-9-17)13-12-19(16)20(21)18-10-6-3-7-11-18/h2-11,16,19-20H,12-15,21H2,1H3.
What are the key properties of (1-benzyl-3-methylpiperidin-4-yl)-phenylmethanamine?
(1-benzyl-3-methylpiperidin-4-yl)-phenylmethanamine has a molecular weight of 294.44 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-3-methylpiperidin-4-yl)-phenylmethanamine is sourced from PubChem (CID 3064195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).