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

C17H26ClN3 — CID 62946182

IUPAC[2-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine
SMILESNCc1ccc(N2CCC(N3CCCCC3)CC2)cc1Cl
InChIInChI=1S/C17H26ClN3/c18-17-12-16(5-4-14(17)13-19)21-10-6-15(7-11-21)20-8-2-1-3-9-20/h4-5,12,15H,1-3,6-11,13,19H2
InChIKeyCZHRWUQVWMYXBE-UHFFFAOYSA-N
MW307.87 g/mol
LogP3.25
Rot. Bonds3

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

[2-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine (PubChem CID 62946182) has the molecular formula C17H26ClN3 and a molecular weight of 307.87 g/mol. Its IUPAC name is [2-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine
PubChem CID62946182
Molecular FormulaC17H26ClN3
Molecular Weight307.87 g/mol
Exact Mass307.18
IUPAC Name[2-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine
SMILESNCc1ccc(N2CCC(N3CCCCC3)CC2)cc1Cl
InChIInChI=1S/C17H26ClN3/c18-17-12-16(5-4-14(17)13-19)21-10-6-15(7-11-21)20-8-2-1-3-9-20/h4-5,12,15H,1-3,6-11,13,19H2
InChIKeyCZHRWUQVWMYXBE-UHFFFAOYSA-N
XLogP3.25
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine?
The IUPAC name of [2-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine (CID 62946182) is [2-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [2-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine?
The canonical SMILES for [2-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine is NCc1ccc(N2CCC(N3CCCCC3)CC2)cc1Cl.
What is the InChIKey of [2-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine?
The InChIKey is CZHRWUQVWMYXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3/c18-17-12-16(5-4-14(17)13-19)21-10-6-15(7-11-21)20-8-2-1-3-9-20/h4-5,12,15H,1-3,6-11,13,19H2.
What are the key properties of [2-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine?
[2-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine has a molecular weight of 307.87 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 62946182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).