[4-chloro-2-(4-propylpiperidin-1-yl)phenyl]methanamine

C15H23ClN2 — CID 63081802

IUPAC[4-chloro-2-(4-propylpiperidin-1-yl)phenyl]methanamine
SMILESCCCC1CCN(c2cc(Cl)ccc2CN)CC1
InChIInChI=1S/C15H23ClN2/c1-2-3-12-6-8-18(9-7-12)15-10-14(16)5-4-13(15)11-17/h4-5,10,12H,2-3,6-9,11,17H2,1H3
InChIKeyFUGHYNGKJNOUIX-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.82
Rot. Bonds4

About [4-chloro-2-(4-propylpiperidin-1-yl)phenyl]methanamine

[4-chloro-2-(4-propylpiperidin-1-yl)phenyl]methanamine (PubChem CID 63081802) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is [4-chloro-2-(4-propylpiperidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-chloro-2-(4-propylpiperidin-1-yl)phenyl]methanamine
PubChem CID63081802
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name[4-chloro-2-(4-propylpiperidin-1-yl)phenyl]methanamine
SMILESCCCC1CCN(c2cc(Cl)ccc2CN)CC1
InChIInChI=1S/C15H23ClN2/c1-2-3-12-6-8-18(9-7-12)15-10-14(16)5-4-13(15)11-17/h4-5,10,12H,2-3,6-9,11,17H2,1H3
InChIKeyFUGHYNGKJNOUIX-UHFFFAOYSA-N
XLogP3.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(4-propylpiperidin-1-yl)phenyl]methanamine?
The IUPAC name of [4-chloro-2-(4-propylpiperidin-1-yl)phenyl]methanamine (CID 63081802) is [4-chloro-2-(4-propylpiperidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [4-chloro-2-(4-propylpiperidin-1-yl)phenyl]methanamine?
The canonical SMILES for [4-chloro-2-(4-propylpiperidin-1-yl)phenyl]methanamine is CCCC1CCN(c2cc(Cl)ccc2CN)CC1.
What is the InChIKey of [4-chloro-2-(4-propylpiperidin-1-yl)phenyl]methanamine?
The InChIKey is FUGHYNGKJNOUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-2-3-12-6-8-18(9-7-12)15-10-14(16)5-4-13(15)11-17/h4-5,10,12H,2-3,6-9,11,17H2,1H3.
What are the key properties of [4-chloro-2-(4-propylpiperidin-1-yl)phenyl]methanamine?
[4-chloro-2-(4-propylpiperidin-1-yl)phenyl]methanamine has a molecular weight of 266.82 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(4-propylpiperidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 63081802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).