1-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine

C16H26N2 — CID 114592777

IUPAC1-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
SMILESCC1CC(C)C(C)N(CC(N)c2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-12-9-13(2)14(3)18(10-12)11-16(17)15-7-5-4-6-8-15/h4-8,12-14,16H,9-11,17H2,1-3H3
InChIKeyLKGCVPKLORCIQN-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.05
Rot. Bonds3

About 1-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine

1-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine (PubChem CID 114592777) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name1-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
PubChem CID114592777
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
SMILESCC1CC(C)C(C)N(CC(N)c2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-12-9-13(2)14(3)18(10-12)11-16(17)15-7-5-4-6-8-15/h4-8,12-14,16H,9-11,17H2,1-3H3
InChIKeyLKGCVPKLORCIQN-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 107522072
2-methyl-1-phenyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 114596662
1-(2-chlorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine
CID 114596708
1-(2-fluorophenyl)-2-methyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol
CID 114596873
2-(2,5-dimethylmorpholin-4-yl)-1-phenylethanamine
CID 43544546
N-methyl-1-(2-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592756
(1R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanamine
CID 30072743
1-methoxy-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine
CID 114593853
ethyl 2-amino-3-(2,3,5-trimethylpiperidin-1-yl)propanoate
CID 114596345
4-methoxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine
CID 114593868
1-[(2S)-2-amino-2-phenylethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 112736995
2-methyl-N-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]aniline
CID 114597196

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine?
The IUPAC name of 1-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine (CID 114592777) is 1-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 1-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 1-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine is CC1CC(C)C(C)N(CC(N)c2ccccc2)C1.
What is the InChIKey of 1-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine?
The InChIKey is LKGCVPKLORCIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-9-13(2)14(3)18(10-12)11-16(17)15-7-5-4-6-8-15/h4-8,12-14,16H,9-11,17H2,1-3H3.
What are the key properties of 1-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine?
1-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 114592777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).