1-[2-(3-chlorophenoxy)ethyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride

C17H26Cl2N2O — CID 119926778

IUPAC1-[2-(3-chlorophenoxy)ethyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
SMILESCl.Clc1cccc(OCCN2CCC(NCC3CC3)CC2)c1
InChIInChI=1S/C17H25ClN2O.ClH/c18-15-2-1-3-17(12-15)21-11-10-20-8-6-16(7-9-20)19-13-14-4-5-14;/h1-3,12,14,16,19H,4-11,13H2;1H
InChIKeyAHDQIRNIRXEBRY-UHFFFAOYSA-N
MW345.31 g/mol
LogP3.60
Rot. Bonds7

About 1-[2-(3-chlorophenoxy)ethyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride

1-[2-(3-chlorophenoxy)ethyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride (PubChem CID 119926778) has the molecular formula C17H26Cl2N2O and a molecular weight of 345.31 g/mol. Its IUPAC name is 1-[2-(3-chlorophenoxy)ethyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[2-(3-chlorophenoxy)ethyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
PubChem CID119926778
Molecular FormulaC17H26Cl2N2O
Molecular Weight345.31 g/mol
Exact Mass344.14
IUPAC Name1-[2-(3-chlorophenoxy)ethyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
SMILESCl.Clc1cccc(OCCN2CCC(NCC3CC3)CC2)c1
InChIInChI=1S/C17H25ClN2O.ClH/c18-15-2-1-3-17(12-15)21-11-10-20-8-6-16(7-9-20)19-13-14-4-5-14;/h1-3,12,14,16,19H,4-11,13H2;1H
InChIKeyAHDQIRNIRXEBRY-UHFFFAOYSA-N
XLogP3.60
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine
CID 119923695
1-[1-[2-(3-chlorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylmethanamine;dihydrochloride
CID 19085401
N-(cyclopropylmethyl)-1-[2-(2-methylphenoxy)ethyl]piperidin-4-amine
CID 115307413
[3-[(3-chlorophenyl)methoxy]phenyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119621851
3-[(3-chlorophenyl)methyl]-1-(2-phenoxyethyl)pyrrolidine
CID 67647985
N-(3-chlorophenyl)-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide
CID 119926822
1-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]piperidine
CID 2245896
1-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 63101220
N-[[1-(2-phenoxyethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 62580428
[1-[3-(3-chlorophenoxy)propyl]pyrrolidin-3-yl]methanol
CID 111442585
N-[[1-[2-(3-chlorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62460816
1-[1-[2-(3-chlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81490255

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride?
The IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride (CID 119926778) is 1-[2-(3-chlorophenoxy)ethyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[2-(3-chlorophenoxy)ethyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[2-(3-chlorophenoxy)ethyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride is Cl.Clc1cccc(OCCN2CCC(NCC3CC3)CC2)c1.
What is the InChIKey of 1-[2-(3-chlorophenoxy)ethyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride?
The InChIKey is AHDQIRNIRXEBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O.ClH/c18-15-2-1-3-17(12-15)21-11-10-20-8-6-16(7-9-20)19-13-14-4-5-14;/h1-3,12,14,16,19H,4-11,13H2;1H.
What are the key properties of 1-[2-(3-chlorophenoxy)ethyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride?
1-[2-(3-chlorophenoxy)ethyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride has a molecular weight of 345.31 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenoxy)ethyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride is sourced from PubChem (CID 119926778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).