4-[(2S)-3-methylbutan-2-yl]piperidine

C10H21N — CID 126758303

IUPAC4-[(2S)-3-methylbutan-2-yl]piperidine
SMILESCC(C)[C@H](C)C1CCNCC1
InChIInChI=1S/C10H21N/c1-8(2)9(3)10-4-6-11-7-5-10/h8-11H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyUJVUZZGTYJOAGL-VIFPVBQESA-N
MW155.28 g/mol
LogP2.28
Rot. Bonds2

About 4-[(2S)-3-methylbutan-2-yl]piperidine

4-[(2S)-3-methylbutan-2-yl]piperidine (PubChem CID 126758303) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 4-[(2S)-3-methylbutan-2-yl]piperidine.

Molecular Properties

Compound Name4-[(2S)-3-methylbutan-2-yl]piperidine
PubChem CID126758303
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name4-[(2S)-3-methylbutan-2-yl]piperidine
SMILESCC(C)[C@H](C)C1CCNCC1
InChIInChI=1S/C10H21N/c1-8(2)9(3)10-4-6-11-7-5-10/h8-11H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyUJVUZZGTYJOAGL-VIFPVBQESA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[(2S)-3-methylbutan-2-yl]piperidine 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

4-(3,4-dimethylpentan-2-yl)piperidine
CID 131198320
3-piperidin-4-ylbutan-2-ol
CID 154192279
[(2R)-3-methylbutan-2-yl]cyclopentane
CID 59954478
4-[(2R)-3,3-dimethylbutan-2-yl]piperidine
CID 146228118
4-[(1R)-1-fluoroethyl]piperidine
CID 124547551
4-[(1R)-1-methoxyethyl]piperidine
CID 95732416
3-methyl-2-piperidin-4-ylbutan-1-amine
CID 82598281
4-(1-cyclopentylpropan-2-yl)piperidine
CID 131198877
N-[(1R)-1-cycloheptylethyl]piperidin-4-amine
CID 81391963
4-[(2R)-butan-2-yl]piperidine;ethane
CID 142032949
4-(2-methyl-1-piperidin-4-ylpropyl)pyridine
CID 83910226
1-fluoro-1-piperidin-4-ylpropan-2-amine
CID 105431459

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-3-methylbutan-2-yl]piperidine?
The IUPAC name of 4-[(2S)-3-methylbutan-2-yl]piperidine (CID 126758303) is 4-[(2S)-3-methylbutan-2-yl]piperidine.
What is the SMILES notation for 4-[(2S)-3-methylbutan-2-yl]piperidine?
The canonical SMILES for 4-[(2S)-3-methylbutan-2-yl]piperidine is CC(C)[C@H](C)C1CCNCC1.
What is the InChIKey of 4-[(2S)-3-methylbutan-2-yl]piperidine?
The InChIKey is UJVUZZGTYJOAGL-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21N/c1-8(2)9(3)10-4-6-11-7-5-10/h8-11H,4-7H2,1-3H3/t9-/m0/s1.
What are the key properties of 4-[(2S)-3-methylbutan-2-yl]piperidine?
4-[(2S)-3-methylbutan-2-yl]piperidine has a molecular weight of 155.28 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-3-methylbutan-2-yl]piperidine is sourced from PubChem (CID 126758303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).