N-[(5-chloroquinolin-8-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine

C17H22ClN3 — CID 106623813

IUPACN-[(5-chloroquinolin-8-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
SMILESCN(Cc1ccc(Cl)c2cccnc12)CC1CCCNC1
InChIInChI=1S/C17H22ClN3/c1-21(11-13-4-2-8-19-10-13)12-14-6-7-16(18)15-5-3-9-20-17(14)15/h3,5-7,9,13,19H,2,4,8,10-12H2,1H3
InChIKeyDOKZNSNQWPYGTF-UHFFFAOYSA-N
MW303.84 g/mol
LogP3.32
Rot. Bonds4

About N-[(5-chloroquinolin-8-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine

N-[(5-chloroquinolin-8-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine (PubChem CID 106623813) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is N-[(5-chloroquinolin-8-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(5-chloroquinolin-8-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
PubChem CID106623813
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC NameN-[(5-chloroquinolin-8-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
SMILESCN(Cc1ccc(Cl)c2cccnc12)CC1CCCNC1
InChIInChI=1S/C17H22ClN3/c1-21(11-13-4-2-8-19-10-13)12-14-6-7-16(18)15-5-3-9-20-17(14)15/h3,5-7,9,13,19H,2,4,8,10-12H2,1H3
InChIKeyDOKZNSNQWPYGTF-UHFFFAOYSA-N
XLogP3.32
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloroquinolin-8-yl)methyl]-N-methylazepan-4-amine
CID 104979426
N-[(2,3-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815611
N-[(2,6-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 113267788
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106636608
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120851649
N-methyl-N-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-3-ylmethanamine
CID 106623637
N-[(2-chloro-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637770
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 104870292
5-chloro-N-(2-piperidin-3-ylethyl)quinoline-8-carboxamide
CID 119558118
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 107124553
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 71642202
N-[(1-ethylindol-3-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623834

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloroquinolin-8-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
The IUPAC name of N-[(5-chloroquinolin-8-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine (CID 106623813) is N-[(5-chloroquinolin-8-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine.
What is the SMILES notation for N-[(5-chloroquinolin-8-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
The canonical SMILES for N-[(5-chloroquinolin-8-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine is CN(Cc1ccc(Cl)c2cccnc12)CC1CCCNC1.
What is the InChIKey of N-[(5-chloroquinolin-8-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
The InChIKey is DOKZNSNQWPYGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-21(11-13-4-2-8-19-10-13)12-14-6-7-16(18)15-5-3-9-20-17(14)15/h3,5-7,9,13,19H,2,4,8,10-12H2,1H3.
What are the key properties of N-[(5-chloroquinolin-8-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
N-[(5-chloroquinolin-8-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine has a molecular weight of 303.84 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloroquinolin-8-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine is sourced from PubChem (CID 106623813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).