[4-(4-chlorophenyl)piperidin-4-yl]methanamine;ethane

C14H23ClN2 — CID 143339018

IUPAC[4-(4-chlorophenyl)piperidin-4-yl]methanamine;ethane
SMILESCC.NCC1(c2ccc(Cl)cc2)CCNCC1
InChIInChI=1S/C12H17ClN2.C2H6/c13-11-3-1-10(2-4-11)12(9-14)5-7-15-8-6-12;1-2/h1-4,15H,5-9,14H2;1-2H3
InChIKeyGJRAWQOHSCVVAA-UHFFFAOYSA-N
MW254.81 g/mol
LogP2.95
Rot. Bonds2

About [4-(4-chlorophenyl)piperidin-4-yl]methanamine;ethane

[4-(4-chlorophenyl)piperidin-4-yl]methanamine;ethane (PubChem CID 143339018) has the molecular formula C14H23ClN2 and a molecular weight of 254.81 g/mol. Its IUPAC name is [4-(4-chlorophenyl)piperidin-4-yl]methanamine;ethane.

Molecular Properties

Compound Name[4-(4-chlorophenyl)piperidin-4-yl]methanamine;ethane
PubChem CID143339018
Molecular FormulaC14H23ClN2
Molecular Weight254.81 g/mol
Exact Mass254.15
IUPAC Name[4-(4-chlorophenyl)piperidin-4-yl]methanamine;ethane
SMILESCC.NCC1(c2ccc(Cl)cc2)CCNCC1
InChIInChI=1S/C12H17ClN2.C2H6/c13-11-3-1-10(2-4-11)12(9-14)5-7-15-8-6-12;1-2/h1-4,15H,5-9,14H2;1-2H3
InChIKeyGJRAWQOHSCVVAA-UHFFFAOYSA-N
XLogP2.95
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.81
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)piperidin-4-yl]methanamine;ethane?
The IUPAC name of [4-(4-chlorophenyl)piperidin-4-yl]methanamine;ethane (CID 143339018) is [4-(4-chlorophenyl)piperidin-4-yl]methanamine;ethane.
What is the SMILES notation for [4-(4-chlorophenyl)piperidin-4-yl]methanamine;ethane?
The canonical SMILES for [4-(4-chlorophenyl)piperidin-4-yl]methanamine;ethane is CC.NCC1(c2ccc(Cl)cc2)CCNCC1.
What is the InChIKey of [4-(4-chlorophenyl)piperidin-4-yl]methanamine;ethane?
The InChIKey is GJRAWQOHSCVVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2.C2H6/c13-11-3-1-10(2-4-11)12(9-14)5-7-15-8-6-12;1-2/h1-4,15H,5-9,14H2;1-2H3.
What are the key properties of [4-(4-chlorophenyl)piperidin-4-yl]methanamine;ethane?
[4-(4-chlorophenyl)piperidin-4-yl]methanamine;ethane has a molecular weight of 254.81 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)piperidin-4-yl]methanamine;ethane is sourced from PubChem (CID 143339018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).