[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]methanol

C11H16ClNOS — CID 51080740

IUPAC[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C11H16ClNOS/c12-11-2-1-10(15-11)7-13-5-3-9(8-14)4-6-13/h1-2,9,14H,3-8H2
InChIKeyQMMHOLPWJSUNLC-UHFFFAOYSA-N
MW245.77 g/mol
LogP2.61
Rot. Bonds3

About [1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]methanol

[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]methanol (PubChem CID 51080740) has the molecular formula C11H16ClNOS and a molecular weight of 245.77 g/mol. Its IUPAC name is [1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]methanol
PubChem CID51080740
Molecular FormulaC11H16ClNOS
Molecular Weight245.77 g/mol
Exact Mass245.06
IUPAC Name[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C11H16ClNOS/c12-11-2-1-10(15-11)7-13-5-3-9(8-14)4-6-13/h1-2,9,14H,3-8H2
InChIKeyQMMHOLPWJSUNLC-UHFFFAOYSA-N
XLogP2.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.77
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917354
1-[(5-chlorothiophen-2-yl)methyl]piperidine-4-carbonitrile
CID 48940786
1-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923162
[(3S,5R)-1-[(5-chlorothiophen-2-yl)methyl]-5-[(dimethylamino)methyl]piperidin-3-yl]methanol
CID 70769445
3-(bromomethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine
CID 80679761
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]butan-1-ol
CID 111489646
[1-[[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methylurea
CID 28956509
N-[[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 62581145
(3R,4R)-1-[(5-chlorothiophen-2-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol
CID 56853912
1-[(5-chlorothiophen-2-yl)methyl]-4-[(3R)-pyrrolidin-3-yl]piperazine
CID 125118001
1-(2-chloroethyl)-4-[(5-chlorothiophen-2-yl)methyl]-1,4-diazepane
CID 63388084
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-methylacetamide
CID 30962910

Frequently Asked Questions

What is the IUPAC name of [1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]methanol (CID 51080740) is [1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]methanol is OCC1CCN(Cc2ccc(Cl)s2)CC1.
What is the InChIKey of [1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]methanol?
The InChIKey is QMMHOLPWJSUNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c12-11-2-1-10(15-11)7-13-5-3-9(8-14)4-6-13/h1-2,9,14H,3-8H2.
What are the key properties of [1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]methanol?
[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]methanol has a molecular weight of 245.77 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 51080740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).