3-[3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propyl]pyridine

C17H27N3 — CID 124749207

IUPAC3-[3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propyl]pyridine
SMILESC[C@H]1CCCCN1C1CN(CCCc2cccnc2)C1
InChIInChI=1S/C17H27N3/c1-15-6-2-3-11-20(15)17-13-19(14-17)10-5-8-16-7-4-9-18-12-16/h4,7,9,12,15,17H,2-3,5-6,8,10-11,13-14H2,1H3/t15-/m0/s1
InChIKeyAATLNKPWDJNZCC-HNNXBMFYSA-N
MW273.42 g/mol
LogP2.57
Rot. Bonds5

About 3-[3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propyl]pyridine

3-[3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propyl]pyridine (PubChem CID 124749207) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-[3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propyl]pyridine.

Molecular Properties

Compound Name3-[3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propyl]pyridine
PubChem CID124749207
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name3-[3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propyl]pyridine
SMILESC[C@H]1CCCCN1C1CN(CCCc2cccnc2)C1
InChIInChI=1S/C17H27N3/c1-15-6-2-3-11-20(15)17-13-19(14-17)10-5-8-16-7-4-9-18-12-16/h4,7,9,12,15,17H,2-3,5-6,8,10-11,13-14H2,1H3/t15-/m0/s1
InChIKeyAATLNKPWDJNZCC-HNNXBMFYSA-N
XLogP2.57
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-pyrrolidin-1-ylpropyl)pyridine
CID 70096862
1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-pyridin-3-ylethanone
CID 96582023
(2S,6R)-2,6-dimethyl-4-[1-(3-pyridin-3-ylpropyl)piperidin-4-yl]morpholine
CID 91831212
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
7,8-dimethyl-3-[[1-(3-pyridin-3-ylpropyl)piperidin-3-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 14306787
1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride
CID 86694323
[1-(2-pyridin-3-ylethyl)piperidin-2-yl]methanamine
CID 63262844
2-[(2R)-4-(3-pyridin-3-ylpropyl)morpholin-2-yl]ethanamine
CID 124750899
3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]propan-1-amine
CID 55168058
N-(2-pyridin-3-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 54961065
[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanol
CID 63262723
4-[3-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]propoxy]benzoic acid
CID 91828422

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propyl]pyridine?
The IUPAC name of 3-[3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propyl]pyridine (CID 124749207) is 3-[3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propyl]pyridine.
What is the SMILES notation for 3-[3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propyl]pyridine?
The canonical SMILES for 3-[3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propyl]pyridine is C[C@H]1CCCCN1C1CN(CCCc2cccnc2)C1.
What is the InChIKey of 3-[3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propyl]pyridine?
The InChIKey is AATLNKPWDJNZCC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H27N3/c1-15-6-2-3-11-20(15)17-13-19(14-17)10-5-8-16-7-4-9-18-12-16/h4,7,9,12,15,17H,2-3,5-6,8,10-11,13-14H2,1H3/t15-/m0/s1.
What are the key properties of 3-[3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propyl]pyridine?
3-[3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propyl]pyridine has a molecular weight of 273.42 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propyl]pyridine is sourced from PubChem (CID 124749207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).