4-(piperidin-3-ylmethylsulfonylmethyl)pyridine;hydrochloride

C12H19ClN2O2S — CID 71645755

IUPAC4-(piperidin-3-ylmethylsulfonylmethyl)pyridine;hydrochloride
SMILESCl.O=S(=O)(Cc1ccncc1)CC1CCCNC1
InChIInChI=1S/C12H18N2O2S.ClH/c15-17(16,9-11-3-6-13-7-4-11)10-12-2-1-5-14-8-12;/h3-4,6-7,12,14H,1-2,5,8-10H2;1H
InChIKeyNOMCJRFOGZUIGP-UHFFFAOYSA-N
MW290.82 g/mol
LogP1.42
Rot. Bonds4

About 4-(piperidin-3-ylmethylsulfonylmethyl)pyridine;hydrochloride

4-(piperidin-3-ylmethylsulfonylmethyl)pyridine;hydrochloride (PubChem CID 71645755) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 4-(piperidin-3-ylmethylsulfonylmethyl)pyridine;hydrochloride.

Molecular Properties

Compound Name4-(piperidin-3-ylmethylsulfonylmethyl)pyridine;hydrochloride
PubChem CID71645755
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name4-(piperidin-3-ylmethylsulfonylmethyl)pyridine;hydrochloride
SMILESCl.O=S(=O)(Cc1ccncc1)CC1CCCNC1
InChIInChI=1S/C12H18N2O2S.ClH/c15-17(16,9-11-3-6-13-7-4-11)10-12-2-1-5-14-8-12;/h3-4,6-7,12,14H,1-2,5,8-10H2;1H
InChIKeyNOMCJRFOGZUIGP-UHFFFAOYSA-N
XLogP1.42
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(3R)-piperidin-3-yl]methylsulfonylmethyl]pyridine
CID 97165999
2-[[(3S)-piperidin-3-yl]methylsulfonylmethyl]pyridine
CID 97165998
4-[[(2S)-piperidin-2-yl]methylsulfonylmethyl]pyridine
CID 97165941
4-(piperidin-3-ylmethylsulfinylmethyl)pyridine
CID 71646160
4-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]pyridine
CID 97166366
N-ethyl-N-(piperidin-3-ylmethyl)-2-pyridin-4-ylethanesulfonamide
CID 106631087
4-[[(3S)-piperidin-3-yl]methoxymethyl]pyridine
CID 94403087
1-phenyl-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride
CID 119968538
N-(6-oxo-1H-pyridazin-3-yl)-1-piperidin-3-ylmethanesulfonamide
CID 116787354
4-(2-pyrrolidin-3-ylethyl)pyridine;dihydrochloride
CID 126845941
4-(azetidin-3-ylmethylsulfonylmethyl)phenol
CID 81198576
N-[[(3R)-piperidin-3-yl]methyl]-1-pyridin-3-ylmethanesulfonamide
CID 97165901

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-3-ylmethylsulfonylmethyl)pyridine;hydrochloride?
The IUPAC name of 4-(piperidin-3-ylmethylsulfonylmethyl)pyridine;hydrochloride (CID 71645755) is 4-(piperidin-3-ylmethylsulfonylmethyl)pyridine;hydrochloride.
What is the SMILES notation for 4-(piperidin-3-ylmethylsulfonylmethyl)pyridine;hydrochloride?
The canonical SMILES for 4-(piperidin-3-ylmethylsulfonylmethyl)pyridine;hydrochloride is Cl.O=S(=O)(Cc1ccncc1)CC1CCCNC1.
What is the InChIKey of 4-(piperidin-3-ylmethylsulfonylmethyl)pyridine;hydrochloride?
The InChIKey is NOMCJRFOGZUIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S.ClH/c15-17(16,9-11-3-6-13-7-4-11)10-12-2-1-5-14-8-12;/h3-4,6-7,12,14H,1-2,5,8-10H2;1H.
What are the key properties of 4-(piperidin-3-ylmethylsulfonylmethyl)pyridine;hydrochloride?
4-(piperidin-3-ylmethylsulfonylmethyl)pyridine;hydrochloride has a molecular weight of 290.82 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-3-ylmethylsulfonylmethyl)pyridine;hydrochloride is sourced from PubChem (CID 71645755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).