1-[2-(3-chloro-4-methoxyphenyl)-1-cyclopropylpiperidin-3-yl]-N-methylmethanamine

C17H25ClN2O — CID 65021410

IUPAC1-[2-(3-chloro-4-methoxyphenyl)-1-cyclopropylpiperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(C2CC2)C1c1ccc(OC)c(Cl)c1
InChIInChI=1S/C17H25ClN2O/c1-19-11-13-4-3-9-20(14-6-7-14)17(13)12-5-8-16(21-2)15(18)10-12/h5,8,10,13-14,17,19H,3-4,6-7,9,11H2,1-2H3
InChIKeyLLXSFXIBUOKTGP-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.48
Rot. Bonds5

About 1-[2-(3-chloro-4-methoxyphenyl)-1-cyclopropylpiperidin-3-yl]-N-methylmethanamine

1-[2-(3-chloro-4-methoxyphenyl)-1-cyclopropylpiperidin-3-yl]-N-methylmethanamine (PubChem CID 65021410) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-methoxyphenyl)-1-cyclopropylpiperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-chloro-4-methoxyphenyl)-1-cyclopropylpiperidin-3-yl]-N-methylmethanamine
PubChem CID65021410
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name1-[2-(3-chloro-4-methoxyphenyl)-1-cyclopropylpiperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(C2CC2)C1c1ccc(OC)c(Cl)c1
InChIInChI=1S/C17H25ClN2O/c1-19-11-13-4-3-9-20(14-6-7-14)17(13)12-5-8-16(21-2)15(18)10-12/h5,8,10,13-14,17,19H,3-4,6-7,9,11H2,1-2H3
InChIKeyLLXSFXIBUOKTGP-UHFFFAOYSA-N
XLogP3.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chloro-4-methoxyphenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine
CID 65021313
N-[[2-(3-chloro-4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]propan-1-amine
CID 65021457
1-[2-(3-chloro-4-methylphenyl)-1-propan-2-ylpiperidin-3-yl]-N-methylmethanamine
CID 106818565
2-methoxy-5-[1-methyl-3-(methylaminomethyl)azepan-2-yl]benzonitrile
CID 65336556
1-[3-(3-chloro-4-methylphenyl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine
CID 106818605
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103698755
6-amino-7-(3-chloro-4-methoxyphenyl)-1-cyclopropylazepan-2-one
CID 65021981
[2-(3-chloro-4-methylphenyl)-1-cyclopropylpyrrolidin-3-yl]methanamine
CID 106818587
4-(3-chloro-4-methoxyphenyl)-1-methylpiperidine
CID 156561113
2-methoxy-5-[3-(methylaminomethyl)-1-propan-2-ylpyrrolidin-2-yl]benzonitrile
CID 65336360
1-[2-(2-chloro-6-methoxyphenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
CID 104818684
3-chloro-4-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83960396

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4-methoxyphenyl)-1-cyclopropylpiperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-chloro-4-methoxyphenyl)-1-cyclopropylpiperidin-3-yl]-N-methylmethanamine (CID 65021410) is 1-[2-(3-chloro-4-methoxyphenyl)-1-cyclopropylpiperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-chloro-4-methoxyphenyl)-1-cyclopropylpiperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-chloro-4-methoxyphenyl)-1-cyclopropylpiperidin-3-yl]-N-methylmethanamine is CNCC1CCCN(C2CC2)C1c1ccc(OC)c(Cl)c1.
What is the InChIKey of 1-[2-(3-chloro-4-methoxyphenyl)-1-cyclopropylpiperidin-3-yl]-N-methylmethanamine?
The InChIKey is LLXSFXIBUOKTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-19-11-13-4-3-9-20(14-6-7-14)17(13)12-5-8-16(21-2)15(18)10-12/h5,8,10,13-14,17,19H,3-4,6-7,9,11H2,1-2H3.
What are the key properties of 1-[2-(3-chloro-4-methoxyphenyl)-1-cyclopropylpiperidin-3-yl]-N-methylmethanamine?
1-[2-(3-chloro-4-methoxyphenyl)-1-cyclopropylpiperidin-3-yl]-N-methylmethanamine has a molecular weight of 308.85 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-4-methoxyphenyl)-1-cyclopropylpiperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 65021410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).