3-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine

C18H27ClN2 — CID 43749174

IUPAC3-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine
SMILESCC(CN1CCCCC1)NC1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C18H27ClN2/c1-14(13-21-8-3-2-4-9-21)20-18-11-16(12-18)15-6-5-7-17(19)10-15/h5-7,10,14,16,18,20H,2-4,8-9,11-13H2,1H3
InChIKeyCZMWNXGKEBHMLT-UHFFFAOYSA-N
MW306.88 g/mol
LogP4.05
Rot. Bonds5

About 3-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine

3-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine (PubChem CID 43749174) has the molecular formula C18H27ClN2 and a molecular weight of 306.88 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine
PubChem CID43749174
Molecular FormulaC18H27ClN2
Molecular Weight306.88 g/mol
Exact Mass306.19
IUPAC Name3-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine
SMILESCC(CN1CCCCC1)NC1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C18H27ClN2/c1-14(13-21-8-3-2-4-9-21)20-18-11-16(12-18)15-6-5-7-17(19)10-15/h5-7,10,14,16,18,20H,2-4,8-9,11-13H2,1H3
InChIKeyCZMWNXGKEBHMLT-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.88
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 61471822
3-phenyl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 61472261
3-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine
CID 43749409
3-(3-chlorophenyl)-N-(5-methylhexan-2-yl)cyclobutan-1-amine
CID 43634179
3-(4-methylphenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 43749167
3-(4-methoxyphenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 61471742
3-(3-chlorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine
CID 54954950
3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)cyclobutan-1-amine
CID 43675913
3-(2-fluorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 43749170
(2S)-2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol
CID 79253874
3-(3-chlorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine
CID 63449056
2-[[3-(3-chlorophenyl)cyclobutyl]amino]butan-1-ol
CID 43634758

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine?
The IUPAC name of 3-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine (CID 43749174) is 3-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine is CC(CN1CCCCC1)NC1CC(c2cccc(Cl)c2)C1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine?
The InChIKey is CZMWNXGKEBHMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2/c1-14(13-21-8-3-2-4-9-21)20-18-11-16(12-18)15-6-5-7-17(19)10-15/h5-7,10,14,16,18,20H,2-4,8-9,11-13H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine?
3-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine has a molecular weight of 306.88 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 43749174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).