2-methyl-N-[2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine

C19H32N2 — CID 105346515

IUPAC2-methyl-N-[2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine
SMILESCC1CCCN(Cc2ccc(CCNC(C)(C)C)cc2)C1
InChIInChI=1S/C19H32N2/c1-16-6-5-13-21(14-16)15-18-9-7-17(8-10-18)11-12-20-19(2,3)4/h7-10,16,20H,5-6,11-15H2,1-4H3
InChIKeyWCHQSOANKDJIHZ-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.85
Rot. Bonds5

About 2-methyl-N-[2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine

2-methyl-N-[2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine (PubChem CID 105346515) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-methyl-N-[2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine
PubChem CID105346515
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-methyl-N-[2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine
SMILESCC1CCCN(Cc2ccc(CCNC(C)(C)C)cc2)C1
InChIInChI=1S/C19H32N2/c1-16-6-5-13-21(14-16)15-18-9-7-17(8-10-18)11-12-20-19(2,3)4/h7-10,16,20H,5-6,11-15H2,1-4H3
InChIKeyWCHQSOANKDJIHZ-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(4-tert-butylphenyl)methyl]-3-methylpiperidine
CID 158164357
2-methyl-N-[2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine
CID 105346400
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 51531591
2-[4-[(3-methylpiperidin-1-yl)methyl]anilino]ethanethiol
CID 83960967
(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587
4-[[(3S)-3-methylpiperidin-1-yl]methyl]aniline
CID 28720719
4-[(3-methylpiperidin-1-yl)methyl]-N-(2,2,2-trifluoroethyl)aniline
CID 83960996
1-benzyl-3-methylpiperidine
CID 2794856
N-(cyclopropylmethyl)-4-[(3-methylpiperidin-1-yl)methyl]aniline
CID 83960979
3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 58659547
4-[(3-methylpiperidin-1-yl)methyl]pyridine
CID 121401070
N'-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]hexane-1,6-diamine
CID 83960954

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine (CID 105346515) is 2-methyl-N-[2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine is CC1CCCN(Cc2ccc(CCNC(C)(C)C)cc2)C1.
What is the InChIKey of 2-methyl-N-[2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine?
The InChIKey is WCHQSOANKDJIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-16-6-5-13-21(14-16)15-18-9-7-17(8-10-18)11-12-20-19(2,3)4/h7-10,16,20H,5-6,11-15H2,1-4H3.
What are the key properties of 2-methyl-N-[2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine?
2-methyl-N-[2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine has a molecular weight of 288.48 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine is sourced from PubChem (CID 105346515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).