2-chloro-4-[(4-propylpiperidin-1-yl)methyl]pyridine

C14H21ClN2 — CID 55075690

IUPAC2-chloro-4-[(4-propylpiperidin-1-yl)methyl]pyridine
SMILESCCCC1CCN(Cc2ccnc(Cl)c2)CC1
InChIInChI=1S/C14H21ClN2/c1-2-3-12-5-8-17(9-6-12)11-13-4-7-16-14(15)10-13/h4,7,10,12H,2-3,5-6,8-9,11H2,1H3
InChIKeyILMUTCMZOZZDOI-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.75
Rot. Bonds4

About 2-chloro-4-[(4-propylpiperidin-1-yl)methyl]pyridine

2-chloro-4-[(4-propylpiperidin-1-yl)methyl]pyridine (PubChem CID 55075690) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 2-chloro-4-[(4-propylpiperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[(4-propylpiperidin-1-yl)methyl]pyridine
PubChem CID55075690
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name2-chloro-4-[(4-propylpiperidin-1-yl)methyl]pyridine
SMILESCCCC1CCN(Cc2ccnc(Cl)c2)CC1
InChIInChI=1S/C14H21ClN2/c1-2-3-12-5-8-17(9-6-12)11-13-4-7-16-14(15)10-13/h4,7,10,12H,2-3,5-6,8-9,11H2,1H3
InChIKeyILMUTCMZOZZDOI-UHFFFAOYSA-N
XLogP3.75
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-4-propylpiperidine
CID 144996291
4-[(4-propylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 63883219
2-chloro-4-[(4-ethoxypiperidin-1-yl)methyl]pyridine
CID 55069209
2-chloro-4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 64569738
2-[1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]ethanol
CID 115648053
[4-[(3-propylpyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 113417036
2-chloro-4-[(3-ethylpiperidin-1-yl)methyl]pyridine
CID 62305973
4-[(4-ethylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62465934
(3S,4R)-1-[(2-chloro-4-pyridinyl)methyl]pyrrolidine-3,4-diol
CID 79410495
1-[(3-bromo-4-fluorophenyl)methyl]-4-propylpiperidine
CID 63458840
5-[(4-propylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62206657
4-[(2-chloro-4-pyridinyl)methyl]-N-methylpiperazine-1-carboxamide
CID 58285194

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(4-propylpiperidin-1-yl)methyl]pyridine?
The IUPAC name of 2-chloro-4-[(4-propylpiperidin-1-yl)methyl]pyridine (CID 55075690) is 2-chloro-4-[(4-propylpiperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 2-chloro-4-[(4-propylpiperidin-1-yl)methyl]pyridine?
The canonical SMILES for 2-chloro-4-[(4-propylpiperidin-1-yl)methyl]pyridine is CCCC1CCN(Cc2ccnc(Cl)c2)CC1.
What is the InChIKey of 2-chloro-4-[(4-propylpiperidin-1-yl)methyl]pyridine?
The InChIKey is ILMUTCMZOZZDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-2-3-12-5-8-17(9-6-12)11-13-4-7-16-14(15)10-13/h4,7,10,12H,2-3,5-6,8-9,11H2,1H3.
What are the key properties of 2-chloro-4-[(4-propylpiperidin-1-yl)methyl]pyridine?
2-chloro-4-[(4-propylpiperidin-1-yl)methyl]pyridine has a molecular weight of 252.79 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(4-propylpiperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 55075690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).