2-methyl-6-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyridine

C18H23N3 — CID 124952443

IUPAC2-methyl-6-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyridine
SMILESCc1cccc(C[C@@H]2CCCN(Cc3cccnc3)C2)n1
InChIInChI=1S/C18H23N3/c1-15-5-2-8-18(20-15)11-16-7-4-10-21(13-16)14-17-6-3-9-19-12-17/h2-3,5-6,8-9,12,16H,4,7,10-11,13-14H2,1H3/t16-/m0/s1
InChIKeyDOJDQTRCTMPWBM-INIZCTEOSA-N
MW281.40 g/mol
LogP3.24
Rot. Bonds4

About 2-methyl-6-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyridine

2-methyl-6-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyridine (PubChem CID 124952443) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-methyl-6-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyridine
PubChem CID124952443
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name2-methyl-6-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyridine
SMILESCc1cccc(C[C@@H]2CCCN(Cc3cccnc3)C2)n1
InChIInChI=1S/C18H23N3/c1-15-5-2-8-18(20-15)11-16-7-4-10-21(13-16)14-17-6-3-9-19-12-17/h2-3,5-6,8-9,12,16H,4,7,10-11,13-14H2,1H3/t16-/m0/s1
InChIKeyDOJDQTRCTMPWBM-INIZCTEOSA-N
XLogP3.24
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyridine
CID 127246408
2-[[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-6-methylpyridine
CID 110095075
3-[[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine
CID 124983720
2-methyl-6-[[(3R)-1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]pyridine
CID 124976617
2-methyl-6-[[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]pyridine
CID 110106337
5-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-1,3,4-oxadiazol-2-amine
CID 154757683
2,6-dimethyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 97227448
5,7-dimethyl-3-[[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 124973365
3-[[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyridine
CID 95717145
1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-amine
CID 11160034
2-[[3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 127246448
2-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine
CID 110091435

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyridine?
The IUPAC name of 2-methyl-6-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyridine (CID 124952443) is 2-methyl-6-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyridine.
What is the SMILES notation for 2-methyl-6-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyridine?
The canonical SMILES for 2-methyl-6-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyridine is Cc1cccc(C[C@@H]2CCCN(Cc3cccnc3)C2)n1.
What is the InChIKey of 2-methyl-6-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyridine?
The InChIKey is DOJDQTRCTMPWBM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3/c1-15-5-2-8-18(20-15)11-16-7-4-10-21(13-16)14-17-6-3-9-19-12-17/h2-3,5-6,8-9,12,16H,4,7,10-11,13-14H2,1H3/t16-/m0/s1.
What are the key properties of 2-methyl-6-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyridine?
2-methyl-6-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyridine has a molecular weight of 281.40 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyridine is sourced from PubChem (CID 124952443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).