2,4-dichloro-5-[(2-propylpiperidin-1-yl)methyl]pyridine

C14H20Cl2N2 — CID 116519073

IUPAC2,4-dichloro-5-[(2-propylpiperidin-1-yl)methyl]pyridine
SMILESCCCC1CCCCN1Cc1cnc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2/c1-2-5-12-6-3-4-7-18(12)10-11-9-17-14(16)8-13(11)15/h8-9,12H,2-7,10H2,1H3
InChIKeyQRKUTSISZGSHIY-UHFFFAOYSA-N
MW287.23 g/mol
LogP4.54
Rot. Bonds4

About 2,4-dichloro-5-[(2-propylpiperidin-1-yl)methyl]pyridine

2,4-dichloro-5-[(2-propylpiperidin-1-yl)methyl]pyridine (PubChem CID 116519073) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 2,4-dichloro-5-[(2-propylpiperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2,4-dichloro-5-[(2-propylpiperidin-1-yl)methyl]pyridine
PubChem CID116519073
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name2,4-dichloro-5-[(2-propylpiperidin-1-yl)methyl]pyridine
SMILESCCCC1CCCCN1Cc1cnc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2/c1-2-5-12-6-3-4-7-18(12)10-11-9-17-14(16)8-13(11)15/h8-9,12H,2-7,10H2,1H3
InChIKeyQRKUTSISZGSHIY-UHFFFAOYSA-N
XLogP4.54
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 54.54
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-[1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-2-yl]propan-2-ol
CID 112748009
4-chloro-2-[(2-propylpiperidin-1-yl)methyl]pyridine
CID 83053677
N-[(4,6-dichloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 116519037
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
[2-[(2-propylpiperidin-1-yl)methyl]phenyl]methanamine
CID 83053433
2-[(4,6-dichloro-3-pyridinyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 116518828
2-chloro-4-(2-propylpiperidin-1-yl)pyridine
CID 104577128
2-(2-bromoethyl)-1-[(2-chloro-4-methylphenyl)methyl]piperidine
CID 106869853
4-bromo-3-[(2-propylpiperidin-1-yl)methyl]aniline
CID 83056021
5-[(2-propylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 83056535
2-(chloromethyl)-1-[(2-chloro-4-methylphenyl)methyl]azepane
CID 106869918
1-[(2,6-dichloro-3-pyridinyl)methyl]-2-ethylazepane
CID 106993927

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[(2-propylpiperidin-1-yl)methyl]pyridine?
The IUPAC name of 2,4-dichloro-5-[(2-propylpiperidin-1-yl)methyl]pyridine (CID 116519073) is 2,4-dichloro-5-[(2-propylpiperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 2,4-dichloro-5-[(2-propylpiperidin-1-yl)methyl]pyridine?
The canonical SMILES for 2,4-dichloro-5-[(2-propylpiperidin-1-yl)methyl]pyridine is CCCC1CCCCN1Cc1cnc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-[(2-propylpiperidin-1-yl)methyl]pyridine?
The InChIKey is QRKUTSISZGSHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-2-5-12-6-3-4-7-18(12)10-11-9-17-14(16)8-13(11)15/h8-9,12H,2-7,10H2,1H3.
What are the key properties of 2,4-dichloro-5-[(2-propylpiperidin-1-yl)methyl]pyridine?
2,4-dichloro-5-[(2-propylpiperidin-1-yl)methyl]pyridine has a molecular weight of 287.23 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[(2-propylpiperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 116519073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).