4-(4-chlorophenyl)-N-(piperidin-4-ylmethyl)oxan-4-amine;hydrochloride

C17H26Cl2N2O — CID 119932480

IUPAC4-(4-chlorophenyl)-N-(piperidin-4-ylmethyl)oxan-4-amine;hydrochloride
SMILESCl.Clc1ccc(C2(NCC3CCNCC3)CCOCC2)cc1
InChIInChI=1S/C17H25ClN2O.ClH/c18-16-3-1-15(2-4-16)17(7-11-21-12-8-17)20-13-14-5-9-19-10-6-14;/h1-4,14,19-20H,5-13H2;1H
InChIKeyMYDXKSPCVNKOIZ-UHFFFAOYSA-N
MW345.31 g/mol
LogP3.36
Rot. Bonds4

About 4-(4-chlorophenyl)-N-(piperidin-4-ylmethyl)oxan-4-amine;hydrochloride

4-(4-chlorophenyl)-N-(piperidin-4-ylmethyl)oxan-4-amine;hydrochloride (PubChem CID 119932480) has the molecular formula C17H26Cl2N2O and a molecular weight of 345.31 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(piperidin-4-ylmethyl)oxan-4-amine;hydrochloride.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(piperidin-4-ylmethyl)oxan-4-amine;hydrochloride
PubChem CID119932480
Molecular FormulaC17H26Cl2N2O
Molecular Weight345.31 g/mol
Exact Mass344.14
IUPAC Name4-(4-chlorophenyl)-N-(piperidin-4-ylmethyl)oxan-4-amine;hydrochloride
SMILESCl.Clc1ccc(C2(NCC3CCNCC3)CCOCC2)cc1
InChIInChI=1S/C17H25ClN2O.ClH/c18-16-3-1-15(2-4-16)17(7-11-21-12-8-17)20-13-14-5-9-19-10-6-14;/h1-4,14,19-20H,5-13H2;1H
InChIKeyMYDXKSPCVNKOIZ-UHFFFAOYSA-N
XLogP3.36
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(piperidin-4-ylmethyl)oxan-4-amine;hydrochloride?
The IUPAC name of 4-(4-chlorophenyl)-N-(piperidin-4-ylmethyl)oxan-4-amine;hydrochloride (CID 119932480) is 4-(4-chlorophenyl)-N-(piperidin-4-ylmethyl)oxan-4-amine;hydrochloride.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(piperidin-4-ylmethyl)oxan-4-amine;hydrochloride?
The canonical SMILES for 4-(4-chlorophenyl)-N-(piperidin-4-ylmethyl)oxan-4-amine;hydrochloride is Cl.Clc1ccc(C2(NCC3CCNCC3)CCOCC2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(piperidin-4-ylmethyl)oxan-4-amine;hydrochloride?
The InChIKey is MYDXKSPCVNKOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O.ClH/c18-16-3-1-15(2-4-16)17(7-11-21-12-8-17)20-13-14-5-9-19-10-6-14;/h1-4,14,19-20H,5-13H2;1H.
What are the key properties of 4-(4-chlorophenyl)-N-(piperidin-4-ylmethyl)oxan-4-amine;hydrochloride?
4-(4-chlorophenyl)-N-(piperidin-4-ylmethyl)oxan-4-amine;hydrochloride has a molecular weight of 345.31 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(piperidin-4-ylmethyl)oxan-4-amine;hydrochloride is sourced from PubChem (CID 119932480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).