(3R)-3-[[(2-piperidin-1-ylquinolin-3-yl)methylamino]methyl]pentan-1-ol

C21H31N3O — CID 96538245

IUPAC(3R)-3-[[(2-piperidin-1-ylquinolin-3-yl)methylamino]methyl]pentan-1-ol
SMILESCC[C@H](CCO)CNCc1cc2ccccc2nc1N1CCCCC1
InChIInChI=1S/C21H31N3O/c1-2-17(10-13-25)15-22-16-19-14-18-8-4-5-9-20(18)23-21(19)24-11-6-3-7-12-24/h4-5,8-9,14,17,22,25H,2-3,6-7,10-13,15-16H2,1H3/t17-/m1/s1
InChIKeySYDYXKDPKPQXPA-QGZVFWFLSA-N
MW341.50 g/mol
LogP3.72
Rot. Bonds8

About (3R)-3-[[(2-piperidin-1-ylquinolin-3-yl)methylamino]methyl]pentan-1-ol

(3R)-3-[[(2-piperidin-1-ylquinolin-3-yl)methylamino]methyl]pentan-1-ol (PubChem CID 96538245) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is (3R)-3-[[(2-piperidin-1-ylquinolin-3-yl)methylamino]methyl]pentan-1-ol.

Molecular Properties

Compound Name(3R)-3-[[(2-piperidin-1-ylquinolin-3-yl)methylamino]methyl]pentan-1-ol
PubChem CID96538245
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name(3R)-3-[[(2-piperidin-1-ylquinolin-3-yl)methylamino]methyl]pentan-1-ol
SMILESCC[C@H](CCO)CNCc1cc2ccccc2nc1N1CCCCC1
InChIInChI=1S/C21H31N3O/c1-2-17(10-13-25)15-22-16-19-14-18-8-4-5-9-20(18)23-21(19)24-11-6-3-7-12-24/h4-5,8-9,14,17,22,25H,2-3,6-7,10-13,15-16H2,1H3/t17-/m1/s1
InChIKeySYDYXKDPKPQXPA-QGZVFWFLSA-N
XLogP3.72
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[[(2-piperidin-1-ylquinolin-3-yl)methylamino]methyl]pentan-1-ol with MolForge

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Related Compounds

N-methyl-1-(2-piperidin-1-ylquinolin-3-yl)methanamine
CID 43281139
1-[2-(azocan-1-yl)quinolin-3-yl]-N-methylmethanamine
CID 43281388
2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propane-1,3-diol
CID 146125966
1-(furan-2-yl)-N,N-dimethyl-N'-[(2-piperidin-1-ylquinolin-3-yl)methyl]ethane-1,2-diamine
CID 119106594
1-[2-(methoxymethyl)phenyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]methanamine
CID 119106670
N-[(2-piperidin-1-ylquinolin-3-yl)methyl]cyclopropanamine
CID 43281135
1-(4-methylmorpholin-2-yl)-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]methanamine
CID 119123070
2-(azocan-1-yl)-3-(bromomethyl)quinoline
CID 107079697
N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-piperidin-1-ylquinolin-3-yl)methanamine
CID 119127944
N-[(2-piperidin-1-ylquinolin-3-yl)methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine
CID 119106720
1-(2-piperidin-1-ylquinolin-3-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)methanamine
CID 119106622
1-[3-(methylaminomethyl)quinolin-2-yl]piperidin-3-ol
CID 61434840

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(2-piperidin-1-ylquinolin-3-yl)methylamino]methyl]pentan-1-ol?
The IUPAC name of (3R)-3-[[(2-piperidin-1-ylquinolin-3-yl)methylamino]methyl]pentan-1-ol (CID 96538245) is (3R)-3-[[(2-piperidin-1-ylquinolin-3-yl)methylamino]methyl]pentan-1-ol.
What is the SMILES notation for (3R)-3-[[(2-piperidin-1-ylquinolin-3-yl)methylamino]methyl]pentan-1-ol?
The canonical SMILES for (3R)-3-[[(2-piperidin-1-ylquinolin-3-yl)methylamino]methyl]pentan-1-ol is CC[C@H](CCO)CNCc1cc2ccccc2nc1N1CCCCC1.
What is the InChIKey of (3R)-3-[[(2-piperidin-1-ylquinolin-3-yl)methylamino]methyl]pentan-1-ol?
The InChIKey is SYDYXKDPKPQXPA-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H31N3O/c1-2-17(10-13-25)15-22-16-19-14-18-8-4-5-9-20(18)23-21(19)24-11-6-3-7-12-24/h4-5,8-9,14,17,22,25H,2-3,6-7,10-13,15-16H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-3-[[(2-piperidin-1-ylquinolin-3-yl)methylamino]methyl]pentan-1-ol?
(3R)-3-[[(2-piperidin-1-ylquinolin-3-yl)methylamino]methyl]pentan-1-ol has a molecular weight of 341.50 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(2-piperidin-1-ylquinolin-3-yl)methylamino]methyl]pentan-1-ol is sourced from PubChem (CID 96538245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).