N-[(2-chloro-6-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine

C17H27ClN2O — CID 104816804

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
SMILESCCCN(Cc1c(Cl)cccc1OC)CC1CCNCC1
InChIInChI=1S/C17H27ClN2O/c1-3-11-20(12-14-7-9-19-10-8-14)13-15-16(18)5-4-6-17(15)21-2/h4-6,14,19H,3,7-13H2,1-2H3
InChIKeyBLJXTEHAVXBZKC-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.56
Rot. Bonds7

About N-[(2-chloro-6-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine

N-[(2-chloro-6-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine (PubChem CID 104816804) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
PubChem CID104816804
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
SMILESCCCN(Cc1c(Cl)cccc1OC)CC1CCNCC1
InChIInChI=1S/C17H27ClN2O/c1-3-11-20(12-14-7-9-19-10-8-14)13-15-16(18)5-4-6-17(15)21-2/h4-6,14,19H,3,7-13H2,1-2H3
InChIKeyBLJXTEHAVXBZKC-UHFFFAOYSA-N
XLogP3.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715751
N-[(3-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79715336
N-[(2-ethylpyrazol-3-yl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 114556405
N-[(2-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715535
4-[(2-fluoro-6-methoxyphenyl)methyl]piperidine
CID 83809598
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79717050
2,6-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702520
(2R)-5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 172562626
5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 172562601
N-[(4-fluoro-2-methylphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79715126
4-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]piperidine
CID 117398048
N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 61417528

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine (CID 104816804) is N-[(2-chloro-6-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine is CCCN(Cc1c(Cl)cccc1OC)CC1CCNCC1.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
The InChIKey is BLJXTEHAVXBZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-3-11-20(12-14-7-9-19-10-8-14)13-15-16(18)5-4-6-17(15)21-2/h4-6,14,19H,3,7-13H2,1-2H3.
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine?
N-[(2-chloro-6-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine has a molecular weight of 310.87 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 104816804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).