2-methyl-1-[1-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]azetidin-3-yl]piperidine

C20H33N3S — CID 91833528

IUPAC2-methyl-1-[1-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]azetidin-3-yl]piperidine
SMILESCC1CCCCN1C1CN(Cc2ccc(CN3CCCCC3)s2)C1
InChIInChI=1S/C20H33N3S/c1-17-7-3-6-12-23(17)18-13-22(14-18)16-20-9-8-19(24-20)15-21-10-4-2-5-11-21/h8-9,17-18H,2-7,10-16H2,1H3
InChIKeyYYSCVZPXYYWMJP-UHFFFAOYSA-N
MW347.57 g/mol
LogP3.79
Rot. Bonds5

About 2-methyl-1-[1-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]azetidin-3-yl]piperidine

2-methyl-1-[1-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]azetidin-3-yl]piperidine (PubChem CID 91833528) has the molecular formula C20H33N3S and a molecular weight of 347.57 g/mol. Its IUPAC name is 2-methyl-1-[1-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]azetidin-3-yl]piperidine.

Molecular Properties

Compound Name2-methyl-1-[1-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]azetidin-3-yl]piperidine
PubChem CID91833528
Molecular FormulaC20H33N3S
Molecular Weight347.57 g/mol
Exact Mass347.24
IUPAC Name2-methyl-1-[1-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]azetidin-3-yl]piperidine
SMILESCC1CCCCN1C1CN(Cc2ccc(CN3CCCCC3)s2)C1
InChIInChI=1S/C20H33N3S/c1-17-7-3-6-12-23(17)18-13-22(14-18)16-20-9-8-19(24-20)15-21-10-4-2-5-11-21/h8-9,17-18H,2-7,10-16H2,1H3
InChIKeyYYSCVZPXYYWMJP-UHFFFAOYSA-N
XLogP3.79
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.57
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[1-[(4,5-dimethylfuran-2-yl)methyl]azetidin-3-yl]-2-methylpiperidine
CID 95712860
[5-[(3-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine
CID 107555522
[5-[(2-methylazepan-1-yl)methyl]thiophen-2-yl]methanamine
CID 107556962
3-[5-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 131909002
(2S)-1-[1-[(1-ethylpyrazol-3-yl)methyl]azetidin-3-yl]-2-methylpiperidine
CID 124751575
[5-(piperidin-1-ylmethyl)thiophen-2-yl]methanol
CID 14026222
1-benzyl-4-[(2R)-2-methylpiperidin-1-yl]piperidine
CID 30983085
1-[1-[3-(furan-2-yl)propyl]azetidin-3-yl]-2-methylpiperidine
CID 91840192
9-hydroxy-2-[[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 124756634
2-(azepan-1-yl)-1-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]ethanone
CID 131947868
(3R,7S,8aS)-3-methyl-7-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methylamino]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 56859495
N-[[5-[(2-methylazepan-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556963

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]azetidin-3-yl]piperidine?
The IUPAC name of 2-methyl-1-[1-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]azetidin-3-yl]piperidine (CID 91833528) is 2-methyl-1-[1-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]azetidin-3-yl]piperidine.
What is the SMILES notation for 2-methyl-1-[1-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]azetidin-3-yl]piperidine?
The canonical SMILES for 2-methyl-1-[1-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]azetidin-3-yl]piperidine is CC1CCCCN1C1CN(Cc2ccc(CN3CCCCC3)s2)C1.
What is the InChIKey of 2-methyl-1-[1-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]azetidin-3-yl]piperidine?
The InChIKey is YYSCVZPXYYWMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3S/c1-17-7-3-6-12-23(17)18-13-22(14-18)16-20-9-8-19(24-20)15-21-10-4-2-5-11-21/h8-9,17-18H,2-7,10-16H2,1H3.
What are the key properties of 2-methyl-1-[1-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]azetidin-3-yl]piperidine?
2-methyl-1-[1-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]azetidin-3-yl]piperidine has a molecular weight of 347.57 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]azetidin-3-yl]piperidine is sourced from PubChem (CID 91833528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).