3-(2-chlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]cyclobutan-1-amine

C18H27ClN2 — CID 107163294

IUPAC3-(2-chlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]cyclobutan-1-amine
SMILESCN1CCC(C)(CNC2CC(c3ccccc3Cl)C2)CC1
InChIInChI=1S/C18H27ClN2/c1-18(7-9-21(2)10-8-18)13-20-15-11-14(12-15)16-5-3-4-6-17(16)19/h3-6,14-15,20H,7-13H2,1-2H3
InChIKeyKLFQNUNUBORQIE-UHFFFAOYSA-N
MW306.88 g/mol
LogP3.91
Rot. Bonds4

About 3-(2-chlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]cyclobutan-1-amine

3-(2-chlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]cyclobutan-1-amine (PubChem CID 107163294) has the molecular formula C18H27ClN2 and a molecular weight of 306.88 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]cyclobutan-1-amine
PubChem CID107163294
Molecular FormulaC18H27ClN2
Molecular Weight306.88 g/mol
Exact Mass306.19
IUPAC Name3-(2-chlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]cyclobutan-1-amine
SMILESCN1CCC(C)(CNC2CC(c3ccccc3Cl)C2)CC1
InChIInChI=1S/C18H27ClN2/c1-18(7-9-21(2)10-8-18)13-20-15-11-14(12-15)16-5-3-4-6-17(16)19/h3-6,14-15,20H,7-13H2,1-2H3
InChIKeyKLFQNUNUBORQIE-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.88
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(2-chlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]cyclobutan-1-amine (CID 107163294) is 3-(2-chlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(2-chlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]cyclobutan-1-amine is CN1CCC(C)(CNC2CC(c3ccccc3Cl)C2)CC1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]cyclobutan-1-amine?
The InChIKey is KLFQNUNUBORQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2/c1-18(7-9-21(2)10-8-18)13-20-15-11-14(12-15)16-5-3-4-6-17(16)19/h3-6,14-15,20H,7-13H2,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]cyclobutan-1-amine?
3-(2-chlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]cyclobutan-1-amine has a molecular weight of 306.88 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 107163294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).