7-[(2-piperidin-4-ylpiperidin-1-yl)methyl]quinoline

C20H27N3 — CID 175660387

IUPAC7-[(2-piperidin-4-ylpiperidin-1-yl)methyl]quinoline
SMILESc1cnc2cc(CN3CCCCC3C3CCNCC3)ccc2c1
InChIInChI=1S/C20H27N3/c1-2-13-23(20(5-1)18-8-11-21-12-9-18)15-16-6-7-17-4-3-10-22-19(17)14-16/h3-4,6-7,10,14,18,20-21H,1-2,5,8-9,11-13,15H2
InChIKeyBXWWGQQDVJXZLW-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.59
Rot. Bonds3

About 7-[(2-piperidin-4-ylpiperidin-1-yl)methyl]quinoline

7-[(2-piperidin-4-ylpiperidin-1-yl)methyl]quinoline (PubChem CID 175660387) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is 7-[(2-piperidin-4-ylpiperidin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name7-[(2-piperidin-4-ylpiperidin-1-yl)methyl]quinoline
PubChem CID175660387
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC Name7-[(2-piperidin-4-ylpiperidin-1-yl)methyl]quinoline
SMILESc1cnc2cc(CN3CCCCC3C3CCNCC3)ccc2c1
InChIInChI=1S/C20H27N3/c1-2-13-23(20(5-1)18-8-11-21-12-9-18)15-16-6-7-17-4-3-10-22-19(17)14-16/h3-4,6-7,10,14,18,20-21H,1-2,5,8-9,11-13,15H2
InChIKeyBXWWGQQDVJXZLW-UHFFFAOYSA-N
XLogP3.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-[(2-piperidin-4-ylpiperidin-1-yl)methyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-benzylpyrrolidin-2-yl)piperidine
CID 82385405
6-[[2-(bromomethyl)piperidin-1-yl]methyl]quinoline
CID 80673665
[1-(quinolin-6-ylmethyl)piperidin-2-yl]methanamine
CID 43209671
2-[(2-piperidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 175660162
7-(piperidin-3-ylmethyl)quinoline
CID 84791058
2-[1-(quinolin-6-ylmethyl)piperidin-2-yl]acetic acid
CID 61010277
N'-hydroxy-1-(quinolin-6-ylmethyl)piperidine-2-carboximidamide
CID 77036050
[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2-pyridinyl]methanamine
CID 63888042
6-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025620
(4aR,8aR)-1-(2,3-dihydro-1H-indol-5-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102726902
pyrrolidin-3-yl(quinolin-7-yl)methanone
CID 116568273
N-(quinolin-7-ylmethyl)cyclopropanamine
CID 78921001

Frequently Asked Questions

What is the IUPAC name of 7-[(2-piperidin-4-ylpiperidin-1-yl)methyl]quinoline?
The IUPAC name of 7-[(2-piperidin-4-ylpiperidin-1-yl)methyl]quinoline (CID 175660387) is 7-[(2-piperidin-4-ylpiperidin-1-yl)methyl]quinoline.
What is the SMILES notation for 7-[(2-piperidin-4-ylpiperidin-1-yl)methyl]quinoline?
The canonical SMILES for 7-[(2-piperidin-4-ylpiperidin-1-yl)methyl]quinoline is c1cnc2cc(CN3CCCCC3C3CCNCC3)ccc2c1.
What is the InChIKey of 7-[(2-piperidin-4-ylpiperidin-1-yl)methyl]quinoline?
The InChIKey is BXWWGQQDVJXZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3/c1-2-13-23(20(5-1)18-8-11-21-12-9-18)15-16-6-7-17-4-3-10-22-19(17)14-16/h3-4,6-7,10,14,18,20-21H,1-2,5,8-9,11-13,15H2.
What are the key properties of 7-[(2-piperidin-4-ylpiperidin-1-yl)methyl]quinoline?
7-[(2-piperidin-4-ylpiperidin-1-yl)methyl]quinoline has a molecular weight of 309.46 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-piperidin-4-ylpiperidin-1-yl)methyl]quinoline is sourced from PubChem (CID 175660387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).