1-[2-(3-chloro-4-methylphenyl)-1-propan-2-ylpiperidin-3-yl]-N-methylmethanamine

C17H27ClN2 — CID 106818565

IUPAC1-[2-(3-chloro-4-methylphenyl)-1-propan-2-ylpiperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(C(C)C)C1c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H27ClN2/c1-12(2)20-9-5-6-15(11-19-4)17(20)14-8-7-13(3)16(18)10-14/h7-8,10,12,15,17,19H,5-6,9,11H2,1-4H3
InChIKeyWXWSCMNZSODPPE-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.03
Rot. Bonds4

About 1-[2-(3-chloro-4-methylphenyl)-1-propan-2-ylpiperidin-3-yl]-N-methylmethanamine

1-[2-(3-chloro-4-methylphenyl)-1-propan-2-ylpiperidin-3-yl]-N-methylmethanamine (PubChem CID 106818565) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-methylphenyl)-1-propan-2-ylpiperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-chloro-4-methylphenyl)-1-propan-2-ylpiperidin-3-yl]-N-methylmethanamine
PubChem CID106818565
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-[2-(3-chloro-4-methylphenyl)-1-propan-2-ylpiperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(C(C)C)C1c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H27ClN2/c1-12(2)20-9-5-6-15(11-19-4)17(20)14-8-7-13(3)16(18)10-14/h7-8,10,12,15,17,19H,5-6,9,11H2,1-4H3
InChIKeyWXWSCMNZSODPPE-UHFFFAOYSA-N
XLogP4.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[2-(2-methylpyrazol-3-yl)-1-propan-2-ylpiperidin-3-yl]methanamine
CID 114554487
1-[2-(3-chloro-4-methoxyphenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine
CID 65021313
1-[2-(3-chloro-4-methoxyphenyl)-1-cyclopropylpiperidin-3-yl]-N-methylmethanamine
CID 65021410
2-methoxy-5-[3-(methylaminomethyl)-1-propan-2-ylpyrrolidin-2-yl]benzonitrile
CID 65336360
1-[2-(3-bromo-4-methylphenyl)-1-ethylazepan-3-yl]-N-methylmethanamine
CID 105411489
1-[2-(2-chloro-6-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine
CID 104818691
1-[3-(3-chloro-4-methylphenyl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine
CID 106818605
N-methyl-1-[2-(3-methylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]methanamine
CID 66117489
(2S,3R)-3-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-1-propan-2-ylpiperidine
CID 141326883
1-[2-(3-ethylimidazol-4-yl)-1-propan-2-ylazepan-3-yl]-N-methylmethanamine
CID 66133866
N-methyl-1-[1-methyl-2-(6-methyl-3-pyridinyl)piperidin-3-yl]methanamine
CID 104823699
6-amino-7-(3-chloro-4-methylphenyl)-1-(2-methylpropyl)azepan-2-one
CID 106818668

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4-methylphenyl)-1-propan-2-ylpiperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-chloro-4-methylphenyl)-1-propan-2-ylpiperidin-3-yl]-N-methylmethanamine (CID 106818565) is 1-[2-(3-chloro-4-methylphenyl)-1-propan-2-ylpiperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-chloro-4-methylphenyl)-1-propan-2-ylpiperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-chloro-4-methylphenyl)-1-propan-2-ylpiperidin-3-yl]-N-methylmethanamine is CNCC1CCCN(C(C)C)C1c1ccc(C)c(Cl)c1.
What is the InChIKey of 1-[2-(3-chloro-4-methylphenyl)-1-propan-2-ylpiperidin-3-yl]-N-methylmethanamine?
The InChIKey is WXWSCMNZSODPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-12(2)20-9-5-6-15(11-19-4)17(20)14-8-7-13(3)16(18)10-14/h7-8,10,12,15,17,19H,5-6,9,11H2,1-4H3.
What are the key properties of 1-[2-(3-chloro-4-methylphenyl)-1-propan-2-ylpiperidin-3-yl]-N-methylmethanamine?
1-[2-(3-chloro-4-methylphenyl)-1-propan-2-ylpiperidin-3-yl]-N-methylmethanamine has a molecular weight of 294.87 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-4-methylphenyl)-1-propan-2-ylpiperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 106818565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).