(2S)-2-pentan-3-ylpiperidine

C10H21N — CID 7048107

IUPAC(2S)-2-pentan-3-ylpiperidine
SMILESCCC(CC)[C@@H]1CCCCN1
InChIInChI=1S/C10H21N/c1-3-9(4-2)10-7-5-6-8-11-10/h9-11H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyWDIGSSBTCZVWBL-JTQLQIEISA-N
MW155.29 g/mol
LogP2.56
Rot. Bonds3

About (2S)-2-pentan-3-ylpiperidine

(2S)-2-pentan-3-ylpiperidine (PubChem CID 7048107) has the molecular formula C10H21N and a molecular weight of 155.29 g/mol. Its IUPAC name is (2S)-2-pentan-3-ylpiperidine.

Molecular Properties

Compound Name(2S)-2-pentan-3-ylpiperidine
PubChem CID7048107
Molecular FormulaC10H21N
Molecular Weight155.29 g/mol
Exact Mass155.17
IUPAC Name(2S)-2-pentan-3-ylpiperidine
SMILESCCC(CC)[C@@H]1CCCCN1
InChIInChI=1S/C10H21N/c1-3-9(4-2)10-7-5-6-8-11-10/h9-11H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyWDIGSSBTCZVWBL-JTQLQIEISA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-pentan-3-ylpiperidine
CID 4527381
(2R)-2-butan-2-ylpiperidine
CID 145087457
(2S)-2-[(1S)-1-fluoropropyl]piperidine
CID 124563053
ethyl 3-piperidin-2-ylpentanoate
CID 67315004
2-piperidin-2-ylpropane-1,3-diol
CID 15749478
N,N-dimethyl-1-piperidin-2-ylpropan-1-amine
CID 116906464
(2S)-2-propan-2-ylpiperidine
CID 7022854
2-(1-piperidin-2-ylethyl)piperidine
CID 19900914
(2S)-2-[(2S)-butan-2-yl]pyrrolidine
CID 7047855
(2R)-4-methyl-2-[(2R)-piperidin-2-yl]pentan-1-amine
CID 95241639
(2R)-4-methyl-2-[(2S)-piperidin-2-yl]pentan-1-amine
CID 95241637
ethane;2-propan-2-ylpiperidine
CID 154671868

Frequently Asked Questions

What is the IUPAC name of (2S)-2-pentan-3-ylpiperidine?
The IUPAC name of (2S)-2-pentan-3-ylpiperidine (CID 7048107) is (2S)-2-pentan-3-ylpiperidine.
What is the SMILES notation for (2S)-2-pentan-3-ylpiperidine?
The canonical SMILES for (2S)-2-pentan-3-ylpiperidine is CCC(CC)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-2-pentan-3-ylpiperidine?
The InChIKey is WDIGSSBTCZVWBL-JTQLQIEISA-N. The full InChI is InChI=1S/C10H21N/c1-3-9(4-2)10-7-5-6-8-11-10/h9-11H,3-8H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2-pentan-3-ylpiperidine?
(2S)-2-pentan-3-ylpiperidine has a molecular weight of 155.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-pentan-3-ylpiperidine is sourced from PubChem (CID 7048107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).