N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride

C20H27Cl3N2O — CID 17151664

IUPACN-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
SMILESCl.Cl.Clc1ccc(COc2cccc(CNCC3CCNCC3)c2)cc1
InChIInChI=1S/C20H25ClN2O.2ClH/c21-19-6-4-17(5-7-19)15-24-20-3-1-2-18(12-20)14-23-13-16-8-10-22-11-9-16;;/h1-7,12,16,22-23H,8-11,13-15H2;2*1H
InChIKeySPDUWIWEECBHQD-UHFFFAOYSA-N
MW417.81 g/mol
LogP4.85
Rot. Bonds7

About N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride

N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride (PubChem CID 17151664) has the molecular formula C20H27Cl3N2O and a molecular weight of 417.81 g/mol. Its IUPAC name is N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride.

Molecular Properties

Compound NameN-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
PubChem CID17151664
Molecular FormulaC20H27Cl3N2O
Molecular Weight417.81 g/mol
Exact Mass416.12
IUPAC NameN-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
SMILESCl.Cl.Clc1ccc(COc2cccc(CNCC3CCNCC3)c2)cc1
InChIInChI=1S/C20H25ClN2O.2ClH/c21-19-6-4-17(5-7-19)15-24-20-3-1-2-18(12-20)14-23-13-16-8-10-22-11-9-16;;/h1-7,12,16,22-23H,8-11,13-15H2;2*1H
InChIKeySPDUWIWEECBHQD-UHFFFAOYSA-N
XLogP4.85
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.81
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(4-iodophenyl)methoxy]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine
CID 135164752
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 27108901
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 27108899
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cycloheptanamine;hydrochloride
CID 17295058
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 4721424
1-(azetidin-3-yl)-N-[[3-(4-chlorophenoxy)phenyl]methyl]methanamine
CID 135164635
2-(4-chlorophenyl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 17208490
2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119511583
N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-piperidin-4-ylmethanamine
CID 66537524
2-(4-chlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 17208702
3-[(4-chlorophenyl)methoxy]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427852
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
CID 17155046

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride?
The IUPAC name of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride (CID 17151664) is N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride.
What is the SMILES notation for N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride?
The canonical SMILES for N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride is Cl.Cl.Clc1ccc(COc2cccc(CNCC3CCNCC3)c2)cc1.
What is the InChIKey of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride?
The InChIKey is SPDUWIWEECBHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O.2ClH/c21-19-6-4-17(5-7-19)15-24-20-3-1-2-18(12-20)14-23-13-16-8-10-22-11-9-16;;/h1-7,12,16,22-23H,8-11,13-15H2;2*1H.
What are the key properties of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride?
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride has a molecular weight of 417.81 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride is sourced from PubChem (CID 17151664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).