5-[(4-chloro-2,3-dihydro-1H-pyrrol-2-yl)methyl]-2-(4,4-difluoropiperidin-1-yl)-3-methylpyridine

C16H20ClF2N3 — CID 150405817

IUPAC5-[(4-chloro-2,3-dihydro-1H-pyrrol-2-yl)methyl]-2-(4,4-difluoropiperidin-1-yl)-3-methylpyridine
SMILESCc1cc(CC2CC(Cl)=CN2)cnc1N1CCC(F)(F)CC1
InChIInChI=1S/C16H20ClF2N3/c1-11-6-12(7-14-8-13(17)10-20-14)9-21-15(11)22-4-2-16(18,19)3-5-22/h6,9-10,14,20H,2-5,7-8H2,1H3
InChIKeyHESXSEBKXJGKPM-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.61
Rot. Bonds3

About 5-[(4-chloro-2,3-dihydro-1H-pyrrol-2-yl)methyl]-2-(4,4-difluoropiperidin-1-yl)-3-methylpyridine

5-[(4-chloro-2,3-dihydro-1H-pyrrol-2-yl)methyl]-2-(4,4-difluoropiperidin-1-yl)-3-methylpyridine (PubChem CID 150405817) has the molecular formula C16H20ClF2N3 and a molecular weight of 327.81 g/mol. Its IUPAC name is 5-[(4-chloro-2,3-dihydro-1H-pyrrol-2-yl)methyl]-2-(4,4-difluoropiperidin-1-yl)-3-methylpyridine.

Molecular Properties

Compound Name5-[(4-chloro-2,3-dihydro-1H-pyrrol-2-yl)methyl]-2-(4,4-difluoropiperidin-1-yl)-3-methylpyridine
PubChem CID150405817
Molecular FormulaC16H20ClF2N3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC Name5-[(4-chloro-2,3-dihydro-1H-pyrrol-2-yl)methyl]-2-(4,4-difluoropiperidin-1-yl)-3-methylpyridine
SMILESCc1cc(CC2CC(Cl)=CN2)cnc1N1CCC(F)(F)CC1
InChIInChI=1S/C16H20ClF2N3/c1-11-6-12(7-14-8-13(17)10-20-14)9-21-15(11)22-4-2-16(18,19)3-5-22/h6,9-10,14,20H,2-5,7-8H2,1H3
InChIKeyHESXSEBKXJGKPM-UHFFFAOYSA-N
XLogP3.61
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(4-chloro-2,3-dihydro-1H-pyrrol-2-yl)methyl]-2-(4,4-difluoropiperidin-1-yl)-3-methylpyridine with MolForge

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Related Compounds

2-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]acetic acid
CID 162705309
1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-4,4-dimethylazepane
CID 107084111
1-[5-(chloromethyl)-3-methyl-2-pyridinyl]-4,4-dimethylazepane
CID 80629257
1-[6-(4,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80635442
tert-butyl 2-[5-chloro-6-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]acetate
CID 162705249
3-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]-2H-imidazole-1-carboxylic acid
CID 169088216
[6-(4-ethyl-4-methylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanol
CID 80628816
1-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-3-methylpyrrolidin-3-ol
CID 103356760
N-[[5-methyl-6-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 103499364
(5-methyl-6-piperidin-1-yl-3-pyridinyl)methanamine
CID 79885911
[6-(azepan-1-yl)-5-methyl-3-pyridinyl]methanol
CID 79884523
4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-1,4-oxazepane
CID 107082975

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-2,3-dihydro-1H-pyrrol-2-yl)methyl]-2-(4,4-difluoropiperidin-1-yl)-3-methylpyridine?
The IUPAC name of 5-[(4-chloro-2,3-dihydro-1H-pyrrol-2-yl)methyl]-2-(4,4-difluoropiperidin-1-yl)-3-methylpyridine (CID 150405817) is 5-[(4-chloro-2,3-dihydro-1H-pyrrol-2-yl)methyl]-2-(4,4-difluoropiperidin-1-yl)-3-methylpyridine.
What is the SMILES notation for 5-[(4-chloro-2,3-dihydro-1H-pyrrol-2-yl)methyl]-2-(4,4-difluoropiperidin-1-yl)-3-methylpyridine?
The canonical SMILES for 5-[(4-chloro-2,3-dihydro-1H-pyrrol-2-yl)methyl]-2-(4,4-difluoropiperidin-1-yl)-3-methylpyridine is Cc1cc(CC2CC(Cl)=CN2)cnc1N1CCC(F)(F)CC1.
What is the InChIKey of 5-[(4-chloro-2,3-dihydro-1H-pyrrol-2-yl)methyl]-2-(4,4-difluoropiperidin-1-yl)-3-methylpyridine?
The InChIKey is HESXSEBKXJGKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClF2N3/c1-11-6-12(7-14-8-13(17)10-20-14)9-21-15(11)22-4-2-16(18,19)3-5-22/h6,9-10,14,20H,2-5,7-8H2,1H3.
What are the key properties of 5-[(4-chloro-2,3-dihydro-1H-pyrrol-2-yl)methyl]-2-(4,4-difluoropiperidin-1-yl)-3-methylpyridine?
5-[(4-chloro-2,3-dihydro-1H-pyrrol-2-yl)methyl]-2-(4,4-difluoropiperidin-1-yl)-3-methylpyridine has a molecular weight of 327.81 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-2,3-dihydro-1H-pyrrol-2-yl)methyl]-2-(4,4-difluoropiperidin-1-yl)-3-methylpyridine is sourced from PubChem (CID 150405817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).