2-[(3-methylthiophen-2-yl)-piperidin-4-ylmethyl]pyridine

C16H20N2S — CID 175066665

IUPAC2-[(3-methylthiophen-2-yl)-piperidin-4-ylmethyl]pyridine
SMILESCc1ccsc1C(c1ccccn1)C1CCNCC1
InChIInChI=1S/C16H20N2S/c1-12-7-11-19-16(12)15(13-5-9-17-10-6-13)14-4-2-3-8-18-14/h2-4,7-8,11,13,15,17H,5-6,9-10H2,1H3
InChIKeyKMGNXAANYMOMJM-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.58
Rot. Bonds3

About 2-[(3-methylthiophen-2-yl)-piperidin-4-ylmethyl]pyridine

2-[(3-methylthiophen-2-yl)-piperidin-4-ylmethyl]pyridine (PubChem CID 175066665) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 2-[(3-methylthiophen-2-yl)-piperidin-4-ylmethyl]pyridine.

Molecular Properties

Compound Name2-[(3-methylthiophen-2-yl)-piperidin-4-ylmethyl]pyridine
PubChem CID175066665
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name2-[(3-methylthiophen-2-yl)-piperidin-4-ylmethyl]pyridine
SMILESCc1ccsc1C(c1ccccn1)C1CCNCC1
InChIInChI=1S/C16H20N2S/c1-12-7-11-19-16(12)15(13-5-9-17-10-6-13)14-4-2-3-8-18-14/h2-4,7-8,11,13,15,17H,5-6,9-10H2,1H3
InChIKeyKMGNXAANYMOMJM-UHFFFAOYSA-N
XLogP3.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylthiophen-2-yl)-pyridin-2-ylmethanamine
CID 79989254
3-[1-(3-methylthiophen-2-yl)ethyl]pyrrolidine
CID 112715433
N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine
CID 81401330
2-(1-piperidin-4-yloxyethyl)pyridine
CID 71637942
2-(3-methylthiophen-2-yl)-2-pyridin-2-ylacetic acid
CID 116824724
N-methyl-N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine
CID 86329926
(1S)-1-(3-methylthiophen-2-yl)-N-[(S)-phenyl(pyridin-2-yl)methyl]ethanamine
CID 97073226
1-(3-methylthiophen-2-yl)-2-piperidin-4-ylethanamine
CID 116936534
(1S)-1-pyridin-2-yl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 97162329
(3S)-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 71637667
N-[1-(3-methylthiophen-2-yl)ethyl]pyridin-2-amine
CID 115916926
2-[methoxy(pyrrolidin-3-yl)methyl]pyridine;hydrochloride
CID 118342696

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylthiophen-2-yl)-piperidin-4-ylmethyl]pyridine?
The IUPAC name of 2-[(3-methylthiophen-2-yl)-piperidin-4-ylmethyl]pyridine (CID 175066665) is 2-[(3-methylthiophen-2-yl)-piperidin-4-ylmethyl]pyridine.
What is the SMILES notation for 2-[(3-methylthiophen-2-yl)-piperidin-4-ylmethyl]pyridine?
The canonical SMILES for 2-[(3-methylthiophen-2-yl)-piperidin-4-ylmethyl]pyridine is Cc1ccsc1C(c1ccccn1)C1CCNCC1.
What is the InChIKey of 2-[(3-methylthiophen-2-yl)-piperidin-4-ylmethyl]pyridine?
The InChIKey is KMGNXAANYMOMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-12-7-11-19-16(12)15(13-5-9-17-10-6-13)14-4-2-3-8-18-14/h2-4,7-8,11,13,15,17H,5-6,9-10H2,1H3.
What are the key properties of 2-[(3-methylthiophen-2-yl)-piperidin-4-ylmethyl]pyridine?
2-[(3-methylthiophen-2-yl)-piperidin-4-ylmethyl]pyridine has a molecular weight of 272.42 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylthiophen-2-yl)-piperidin-4-ylmethyl]pyridine is sourced from PubChem (CID 175066665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).