4-[[4-(1-chloroethyl)piperidin-1-yl]methyl]quinoline

C17H21ClN2 — CID 106838033

IUPAC4-[[4-(1-chloroethyl)piperidin-1-yl]methyl]quinoline
SMILESCC(Cl)C1CCN(Cc2ccnc3ccccc23)CC1
InChIInChI=1S/C17H21ClN2/c1-13(18)14-7-10-20(11-8-14)12-15-6-9-19-17-5-3-2-4-16(15)17/h2-6,9,13-14H,7-8,10-12H2,1H3
InChIKeyCOXLREMWRPWMME-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.07
Rot. Bonds3

About 4-[[4-(1-chloroethyl)piperidin-1-yl]methyl]quinoline

4-[[4-(1-chloroethyl)piperidin-1-yl]methyl]quinoline (PubChem CID 106838033) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 4-[[4-(1-chloroethyl)piperidin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name4-[[4-(1-chloroethyl)piperidin-1-yl]methyl]quinoline
PubChem CID106838033
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name4-[[4-(1-chloroethyl)piperidin-1-yl]methyl]quinoline
SMILESCC(Cl)C1CCN(Cc2ccnc3ccccc23)CC1
InChIInChI=1S/C17H21ClN2/c1-13(18)14-7-10-20(11-8-14)12-15-6-9-19-17-5-3-2-4-16(15)17/h2-6,9,13-14H,7-8,10-12H2,1H3
InChIKeyCOXLREMWRPWMME-UHFFFAOYSA-N
XLogP4.07
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[(1R)-1-[1-(quinolin-4-ylmethyl)piperidin-4-yl]ethyl]morpholine
CID 95144633
4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline
CID 79232784
4-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline
CID 56705526
4-[(3-chloropiperidin-1-yl)methyl]quinoline
CID 79240792
1-(quinolin-4-ylmethyl)piperidin-4-one
CID 79235169
4-[4-(1-chloroethyl)piperidin-1-yl]quinazoline
CID 106838537
(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(quinolin-4-ylmethyl)piperidin-3-ol
CID 28768711
1-[4-(quinolin-4-ylmethyl)morpholin-2-yl]ethanamine
CID 115314848
1-[1-[(2-methylquinolin-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920625
4-[(3-methyl-1,4-diazepan-1-yl)methyl]quinoline
CID 79240395
2-propan-2-yl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine
CID 78952536
4-(2-chlorobutyl)quinoline
CID 63203241

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1-chloroethyl)piperidin-1-yl]methyl]quinoline?
The IUPAC name of 4-[[4-(1-chloroethyl)piperidin-1-yl]methyl]quinoline (CID 106838033) is 4-[[4-(1-chloroethyl)piperidin-1-yl]methyl]quinoline.
What is the SMILES notation for 4-[[4-(1-chloroethyl)piperidin-1-yl]methyl]quinoline?
The canonical SMILES for 4-[[4-(1-chloroethyl)piperidin-1-yl]methyl]quinoline is CC(Cl)C1CCN(Cc2ccnc3ccccc23)CC1.
What is the InChIKey of 4-[[4-(1-chloroethyl)piperidin-1-yl]methyl]quinoline?
The InChIKey is COXLREMWRPWMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-13(18)14-7-10-20(11-8-14)12-15-6-9-19-17-5-3-2-4-16(15)17/h2-6,9,13-14H,7-8,10-12H2,1H3.
What are the key properties of 4-[[4-(1-chloroethyl)piperidin-1-yl]methyl]quinoline?
4-[[4-(1-chloroethyl)piperidin-1-yl]methyl]quinoline has a molecular weight of 288.82 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1-chloroethyl)piperidin-1-yl]methyl]quinoline is sourced from PubChem (CID 106838033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).