(1R)-1-[2-(3,3-dimethylpiperidin-1-yl)phenyl]propan-1-amine

C16H26N2 — CID 113358840

IUPAC(1R)-1-[2-(3,3-dimethylpiperidin-1-yl)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1N1CCCC(C)(C)C1
InChIInChI=1S/C16H26N2/c1-4-14(17)13-8-5-6-9-15(13)18-11-7-10-16(2,3)12-18/h5-6,8-9,14H,4,7,10-12,17H2,1-3H3/t14-/m1/s1
InChIKeyPZWUABZUDGSBAV-CQSZACIVSA-N
MW246.40 g/mol
LogP3.72
Rot. Bonds3

About (1R)-1-[2-(3,3-dimethylpiperidin-1-yl)phenyl]propan-1-amine

(1R)-1-[2-(3,3-dimethylpiperidin-1-yl)phenyl]propan-1-amine (PubChem CID 113358840) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (1R)-1-[2-(3,3-dimethylpiperidin-1-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[2-(3,3-dimethylpiperidin-1-yl)phenyl]propan-1-amine
PubChem CID113358840
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(1R)-1-[2-(3,3-dimethylpiperidin-1-yl)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1N1CCCC(C)(C)C1
InChIInChI=1S/C16H26N2/c1-4-14(17)13-8-5-6-9-15(13)18-11-7-10-16(2,3)12-18/h5-6,8-9,14H,4,7,10-12,17H2,1-3H3/t14-/m1/s1
InChIKeyPZWUABZUDGSBAV-CQSZACIVSA-N
XLogP3.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-(3,3-dimethylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 103959036
(1S)-1-[2-(3-methoxy-3-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 107393064
(1S)-1-[2-(azepan-1-yl)phenyl]propan-1-amine
CID 103958428
1-[2-[(1S)-1-aminopropyl]phenyl]-4-methylpiperidin-4-ol
CID 103959062
(1R)-1-[2-(8-azaspiro[4.5]decan-8-yl)phenyl]propan-1-amine
CID 103958889
1-[2-(4-ethylpiperazin-1-yl)phenyl]propan-1-amine
CID 112677803
3,3-dimethyl-1-(2-propan-2-ylphenyl)pyrrolidine
CID 174262939
(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine
CID 103958918
(1R)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine
CID 113358830
(1R)-1-(2-piperidin-1-ylphenyl)pentan-1-amine
CID 129363410
(1S)-1-[2-(4-tert-butylazepan-1-yl)phenyl]propan-1-amine
CID 103958962
1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-1-amine
CID 112677997

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(3,3-dimethylpiperidin-1-yl)phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[2-(3,3-dimethylpiperidin-1-yl)phenyl]propan-1-amine (CID 113358840) is (1R)-1-[2-(3,3-dimethylpiperidin-1-yl)phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[2-(3,3-dimethylpiperidin-1-yl)phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[2-(3,3-dimethylpiperidin-1-yl)phenyl]propan-1-amine is CC[C@@H](N)c1ccccc1N1CCCC(C)(C)C1.
What is the InChIKey of (1R)-1-[2-(3,3-dimethylpiperidin-1-yl)phenyl]propan-1-amine?
The InChIKey is PZWUABZUDGSBAV-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-14(17)13-8-5-6-9-15(13)18-11-7-10-16(2,3)12-18/h5-6,8-9,14H,4,7,10-12,17H2,1-3H3/t14-/m1/s1.
What are the key properties of (1R)-1-[2-(3,3-dimethylpiperidin-1-yl)phenyl]propan-1-amine?
(1R)-1-[2-(3,3-dimethylpiperidin-1-yl)phenyl]propan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(3,3-dimethylpiperidin-1-yl)phenyl]propan-1-amine is sourced from PubChem (CID 113358840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).