1-(cyclobutylmethyl)-3-ethylpiperidine

C12H23N — CID 143174975

IUPAC1-(cyclobutylmethyl)-3-ethylpiperidine
SMILESCCC1CCCN(CC2CCC2)C1
InChIInChI=1S/C12H23N/c1-2-11-7-4-8-13(9-11)10-12-5-3-6-12/h11-12H,2-10H2,1H3
InChIKeyKWNWDGGRCAZBQY-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.91
Rot. Bonds3

About 1-(cyclobutylmethyl)-3-ethylpiperidine

1-(cyclobutylmethyl)-3-ethylpiperidine (PubChem CID 143174975) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-ethylpiperidine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-ethylpiperidine
PubChem CID143174975
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-(cyclobutylmethyl)-3-ethylpiperidine
SMILESCCC1CCCN(CC2CCC2)C1
InChIInChI=1S/C12H23N/c1-2-11-7-4-8-13(9-11)10-12-5-3-6-12/h11-12H,2-10H2,1H3
InChIKeyKWNWDGGRCAZBQY-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 163155823
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4-ethyl-2-[(3-ethylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 62616464
amino-[[(3S)-3-[(3-ethylpiperidin-1-yl)methyl]cyclohexyl]amino]methanol
CID 142001342
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CID 163123871
1-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 42254173
1-(cyclobutylmethyl)-3-propylpyrrolidine;ethane
CID 169242088
2-[(4-ethylcyclohexyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79939394
1-(cyclobutylmethyl)-3-ethyl-1,4-diazepane
CID 64942557
1-(cyclobutylmethyl)azetidine
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CID 78897689

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-ethylpiperidine?
The IUPAC name of 1-(cyclobutylmethyl)-3-ethylpiperidine (CID 143174975) is 1-(cyclobutylmethyl)-3-ethylpiperidine.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-ethylpiperidine?
The canonical SMILES for 1-(cyclobutylmethyl)-3-ethylpiperidine is CCC1CCCN(CC2CCC2)C1.
What is the InChIKey of 1-(cyclobutylmethyl)-3-ethylpiperidine?
The InChIKey is KWNWDGGRCAZBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-2-11-7-4-8-13(9-11)10-12-5-3-6-12/h11-12H,2-10H2,1H3.
What are the key properties of 1-(cyclobutylmethyl)-3-ethylpiperidine?
1-(cyclobutylmethyl)-3-ethylpiperidine has a molecular weight of 181.32 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-ethylpiperidine is sourced from PubChem (CID 143174975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).