[1-(2-chlorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine

C14H21ClN2 — CID 117024878

IUPAC[1-(2-chlorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine
SMILESCC1(C)CN(c2ccccc2Cl)CCC1CN
InChIInChI=1S/C14H21ClN2/c1-14(2)10-17(8-7-11(14)9-16)13-6-4-3-5-12(13)15/h3-6,11H,7-10,16H2,1-2H3
InChIKeyPFRUGWWYLFMPHN-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.15
Rot. Bonds2

About [1-(2-chlorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine

[1-(2-chlorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine (PubChem CID 117024878) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine
PubChem CID117024878
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name[1-(2-chlorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine
SMILESCC1(C)CN(c2ccccc2Cl)CCC1CN
InChIInChI=1S/C14H21ClN2/c1-14(2)10-17(8-7-11(14)9-16)13-6-4-3-5-12(13)15/h3-6,11H,7-10,16H2,1-2H3
InChIKeyPFRUGWWYLFMPHN-UHFFFAOYSA-N
XLogP3.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-fluorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine
CID 117024876
2-[1-(2-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine
CID 117017576
[1-(4-fluorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine
CID 117024877
2-[4-(2-aminoethyl)-3,3-dimethylpiperidin-1-yl]benzonitrile
CID 117024828
3-(aminomethyl)-1-(2-chlorophenyl)-N,N-dimethylpyrrolidin-3-amine
CID 117012477
1-[1-(2-ethylphenyl)-3,3-dimethylpiperidin-4-yl]-N-methylmethanamine
CID 117025017
4-[4-(aminomethyl)-3,3-dimethylpiperidin-1-yl]benzonitrile
CID 117024904
2-[1-(2-bromophenyl)-3,3-dimethylpiperidin-4-yl]ethanol
CID 117024704
[1-(4-ethoxyphenyl)-3,3-dimethylpiperidin-4-yl]methanamine
CID 117024891
2-[3,3-dimethyl-1-(2-methylphenyl)piperidin-4-yl]acetic acid
CID 117024644
3-(aminomethyl)-1-(2-chlorophenyl)pyrrolidin-3-ol
CID 115035884
1-(2-chlorophenyl)-2,2-dimethylpiperidin-4-amine
CID 117020121

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine?
The IUPAC name of [1-(2-chlorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine (CID 117024878) is [1-(2-chlorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-(2-chlorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-(2-chlorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine is CC1(C)CN(c2ccccc2Cl)CCC1CN.
What is the InChIKey of [1-(2-chlorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine?
The InChIKey is PFRUGWWYLFMPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-14(2)10-17(8-7-11(14)9-16)13-6-4-3-5-12(13)15/h3-6,11H,7-10,16H2,1-2H3.
What are the key properties of [1-(2-chlorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine?
[1-(2-chlorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine has a molecular weight of 252.79 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine is sourced from PubChem (CID 117024878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).