4-[(2R)-butan-2-yl]piperidine;ethane

C11H25N — CID 142032949

IUPAC4-[(2R)-butan-2-yl]piperidine;ethane
SMILESCC.CC[C@@H](C)C1CCNCC1
InChIInChI=1S/C9H19N.C2H6/c1-3-8(2)9-4-6-10-7-5-9;1-2/h8-10H,3-7H2,1-2H3;1-2H3/t8-;/m1./s1
InChIKeyGESTXVFXHBDIFO-DDWIOCJRSA-N
MW171.33 g/mol
LogP3.06
Rot. Bonds2

About 4-[(2R)-butan-2-yl]piperidine;ethane

4-[(2R)-butan-2-yl]piperidine;ethane (PubChem CID 142032949) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is 4-[(2R)-butan-2-yl]piperidine;ethane.

Molecular Properties

Compound Name4-[(2R)-butan-2-yl]piperidine;ethane
PubChem CID142032949
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name4-[(2R)-butan-2-yl]piperidine;ethane
SMILESCC.CC[C@@H](C)C1CCNCC1
InChIInChI=1S/C9H19N.C2H6/c1-3-8(2)9-4-6-10-7-5-9;1-2/h8-10H,3-7H2,1-2H3;1-2H3/t8-;/m1./s1
InChIKeyGESTXVFXHBDIFO-DDWIOCJRSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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butan-2-ylcyclohexane;ethane;propane
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N-methyl-2-piperidin-4-ylpropan-1-amine
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4-(1-cyclopentylpropan-2-yl)piperidine
CID 131198877
butan-2-ylcyclohexadecane
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4-[(1S)-1-fluoropropyl]piperidine
CID 124547570
4-(1-fluoro-2-methylbutyl)piperidine
CID 112563763
1-butan-2-yl-4-methylcyclohexane
CID 20676481
N-butan-2-yl-3-piperidin-4-ylbutanamide
CID 119669606
1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
CID 153382511

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-butan-2-yl]piperidine;ethane?
The IUPAC name of 4-[(2R)-butan-2-yl]piperidine;ethane (CID 142032949) is 4-[(2R)-butan-2-yl]piperidine;ethane.
What is the SMILES notation for 4-[(2R)-butan-2-yl]piperidine;ethane?
The canonical SMILES for 4-[(2R)-butan-2-yl]piperidine;ethane is CC.CC[C@@H](C)C1CCNCC1.
What is the InChIKey of 4-[(2R)-butan-2-yl]piperidine;ethane?
The InChIKey is GESTXVFXHBDIFO-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H19N.C2H6/c1-3-8(2)9-4-6-10-7-5-9;1-2/h8-10H,3-7H2,1-2H3;1-2H3/t8-;/m1./s1.
What are the key properties of 4-[(2R)-butan-2-yl]piperidine;ethane?
4-[(2R)-butan-2-yl]piperidine;ethane has a molecular weight of 171.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-butan-2-yl]piperidine;ethane is sourced from PubChem (CID 142032949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).