(2S)-3-methyl-2-(2-piperidin-2-ylphenyl)butan-1-amine

C16H26N2 — CID 141140391

IUPAC(2S)-3-methyl-2-(2-piperidin-2-ylphenyl)butan-1-amine
SMILESCC(C)[C@H](CN)c1ccccc1C1CCCCN1
InChIInChI=1S/C16H26N2/c1-12(2)15(11-17)13-7-3-4-8-14(13)16-9-5-6-10-18-16/h3-4,7-8,12,15-16,18H,5-6,9-11,17H2,1-2H3/t15-,16?/m0/s1
InChIKeyQRDQZDVSOYAMKE-VYRBHSGPSA-N
MW246.40 g/mol
LogP3.20
Rot. Bonds4

About (2S)-3-methyl-2-(2-piperidin-2-ylphenyl)butan-1-amine

(2S)-3-methyl-2-(2-piperidin-2-ylphenyl)butan-1-amine (PubChem CID 141140391) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (2S)-3-methyl-2-(2-piperidin-2-ylphenyl)butan-1-amine.

Molecular Properties

Compound Name(2S)-3-methyl-2-(2-piperidin-2-ylphenyl)butan-1-amine
PubChem CID141140391
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(2S)-3-methyl-2-(2-piperidin-2-ylphenyl)butan-1-amine
SMILESCC(C)[C@H](CN)c1ccccc1C1CCCCN1
InChIInChI=1S/C16H26N2/c1-12(2)15(11-17)13-7-3-4-8-14(13)16-9-5-6-10-18-16/h3-4,7-8,12,15-16,18H,5-6,9-11,17H2,1-2H3/t15-,16?/m0/s1
InChIKeyQRDQZDVSOYAMKE-VYRBHSGPSA-N
XLogP3.20
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-3-methyl-2-(2-piperidin-2-ylphenyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-pentan-3-ylphenyl)pyrrolidine
CID 83836318
(2S)-2-(2-methylsulfanylphenyl)piperidine
CID 7048099
2-(2-ethylphenyl)azepane;hydrochloride
CID 146193845
2-(2-cyclopentylphenyl)piperidine
CID 115005914
(2S)-2-(2-ethoxyphenyl)piperidine;hydrochloride
CID 171194884
2-(2-ethoxyphenyl)piperidine;hydrochloride
CID 17389892
2-[2-(fluoromethyl)phenyl]piperidine
CID 84664975
2-naphthalen-1-ylpiperidine
CID 4209523
(2S)-2-naphthalen-1-ylazepane
CID 7048283
2-propan-2-yl-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518911
4-piperidin-2-yl-2-propan-2-yl-1,3-benzothiazole
CID 117405777
2-[(2R)-pyrrolidin-2-yl]benzenethiol
CID 66518323

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(2-piperidin-2-ylphenyl)butan-1-amine?
The IUPAC name of (2S)-3-methyl-2-(2-piperidin-2-ylphenyl)butan-1-amine (CID 141140391) is (2S)-3-methyl-2-(2-piperidin-2-ylphenyl)butan-1-amine.
What is the SMILES notation for (2S)-3-methyl-2-(2-piperidin-2-ylphenyl)butan-1-amine?
The canonical SMILES for (2S)-3-methyl-2-(2-piperidin-2-ylphenyl)butan-1-amine is CC(C)[C@H](CN)c1ccccc1C1CCCCN1.
What is the InChIKey of (2S)-3-methyl-2-(2-piperidin-2-ylphenyl)butan-1-amine?
The InChIKey is QRDQZDVSOYAMKE-VYRBHSGPSA-N. The full InChI is InChI=1S/C16H26N2/c1-12(2)15(11-17)13-7-3-4-8-14(13)16-9-5-6-10-18-16/h3-4,7-8,12,15-16,18H,5-6,9-11,17H2,1-2H3/t15-,16?/m0/s1.
What are the key properties of (2S)-3-methyl-2-(2-piperidin-2-ylphenyl)butan-1-amine?
(2S)-3-methyl-2-(2-piperidin-2-ylphenyl)butan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(2-piperidin-2-ylphenyl)butan-1-amine is sourced from PubChem (CID 141140391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).