1-[1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-2-yl]propan-2-ol

C14H20Cl2N2O — CID 112748009

IUPAC1-[1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCN1Cc1cnc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-10(19)6-12-4-2-3-5-18(12)9-11-8-17-14(16)7-13(11)15/h7-8,10,12,19H,2-6,9H2,1H3
InChIKeyNSNCVZHKOUBXSA-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.51
Rot. Bonds4

About 1-[1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-2-yl]propan-2-ol

1-[1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-2-yl]propan-2-ol (PubChem CID 112748009) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 1-[1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-2-yl]propan-2-ol
PubChem CID112748009
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name1-[1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCN1Cc1cnc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-10(19)6-12-4-2-3-5-18(12)9-11-8-17-14(16)7-13(11)15/h7-8,10,12,19H,2-6,9H2,1H3
InChIKeyNSNCVZHKOUBXSA-UHFFFAOYSA-N
XLogP3.51
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-2-yl]propan-2-ol 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

2,4-dichloro-5-[(2-propylpiperidin-1-yl)methyl]pyridine
CID 116519073
1-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 113321888
1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]propan-2-ol
CID 114338141
1-[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 113321883
1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propan-2-ol
CID 114338091
1-[1-[(5-bromo-2-pyridinyl)methyl]azepan-2-yl]propan-2-ol
CID 114338968
1-[1-[(5-bromo-2-fluorophenyl)methyl]azepan-2-yl]propan-2-ol
CID 114338762
1-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]propan-2-ol
CID 104893914
4-[[2-(2-hydroxypropyl)piperidin-1-yl]methyl]benzoic acid
CID 114337900
1-[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758703
4-[[2-(2-hydroxypropyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile
CID 114338053
1-[1-[(1-ethylpyrazol-4-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338918

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-2-yl]propan-2-ol (CID 112748009) is 1-[1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-2-yl]propan-2-ol is CC(O)CC1CCCCN1Cc1cnc(Cl)cc1Cl.
What is the InChIKey of 1-[1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-2-yl]propan-2-ol?
The InChIKey is NSNCVZHKOUBXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-10(19)6-12-4-2-3-5-18(12)9-11-8-17-14(16)7-13(11)15/h7-8,10,12,19H,2-6,9H2,1H3.
What are the key properties of 1-[1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-2-yl]propan-2-ol?
1-[1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-2-yl]propan-2-ol has a molecular weight of 303.23 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-2-yl]propan-2-ol is sourced from PubChem (CID 112748009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).