3,3-dimethyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine;hydrochloride

C16H27ClN2 — CID 120776449

IUPAC3,3-dimethyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine;hydrochloride
SMILESCc1ccc(CCN2CCC(N)C(C)(C)C2)cc1.Cl
InChIInChI=1S/C16H26N2.ClH/c1-13-4-6-14(7-5-13)8-10-18-11-9-15(17)16(2,3)12-18;/h4-7,15H,8-12,17H2,1-3H3;1H
InChIKeyHVCVGYZPWCNHGZ-UHFFFAOYSA-N
MW282.86 g/mol
LogP3.02
Rot. Bonds3

About 3,3-dimethyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine;hydrochloride

3,3-dimethyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine;hydrochloride (PubChem CID 120776449) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine;hydrochloride
PubChem CID120776449
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC Name3,3-dimethyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine;hydrochloride
SMILESCc1ccc(CCN2CCC(N)C(C)(C)C2)cc1.Cl
InChIInChI=1S/C16H26N2.ClH/c1-13-4-6-14(7-5-13)8-10-18-11-9-15(17)16(2,3)12-18;/h4-7,15H,8-12,17H2,1-3H3;1H
InChIKeyHVCVGYZPWCNHGZ-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylpiperidin-4-amine
CID 120775320
3,3-dimethyl-1-(2-pyridin-3-ylethyl)piperidin-4-amine
CID 120775808
[3-methyl-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine
CID 120773709
1-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782066
(3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-ol
CID 111434356
3,3-dimethyl-1-(2-phenylethyl)piperidine-4-carbonitrile
CID 117024510
1-[(4-ethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782053
N-benzyl-3,3-difluoro-N-methyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine
CID 134215408
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide;hydrochloride
CID 120776717
1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120775322
1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride
CID 17221614
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 120775592

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine;hydrochloride?
The IUPAC name of 3,3-dimethyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine;hydrochloride (CID 120776449) is 3,3-dimethyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for 3,3-dimethyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for 3,3-dimethyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine;hydrochloride is Cc1ccc(CCN2CCC(N)C(C)(C)C2)cc1.Cl.
What is the InChIKey of 3,3-dimethyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine;hydrochloride?
The InChIKey is HVCVGYZPWCNHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2.ClH/c1-13-4-6-14(7-5-13)8-10-18-11-9-15(17)16(2,3)12-18;/h4-7,15H,8-12,17H2,1-3H3;1H.
What are the key properties of 3,3-dimethyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine;hydrochloride?
3,3-dimethyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine;hydrochloride has a molecular weight of 282.86 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 120776449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).