4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-ol

C14H19N3O2S — CID 56755407

IUPAC4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-ol
SMILESOCC1(O)CCN(Cc2ccc(-c3ccn[nH]3)s2)CC1
InChIInChI=1S/C14H19N3O2S/c18-10-14(19)4-7-17(8-5-14)9-11-1-2-13(20-11)12-3-6-15-16-12/h1-3,6,18-19H,4-5,7-10H2,(H,15,16)
InChIKeyQKWYEUNZBWRBDZ-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.46
Rot. Bonds4

About 4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-ol

4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-ol (PubChem CID 56755407) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-ol
PubChem CID56755407
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-ol
SMILESOCC1(O)CCN(Cc2ccc(-c3ccn[nH]3)s2)CC1
InChIInChI=1S/C14H19N3O2S/c18-10-14(19)4-7-17(8-5-14)9-11-1-2-13(20-11)12-3-6-15-16-12/h1-3,6,18-19H,4-5,7-10H2,(H,15,16)
InChIKeyQKWYEUNZBWRBDZ-UHFFFAOYSA-N
XLogP1.46
TPSA72.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-(2-methylphenyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]pyrrolidin-3-ol
CID 99934007
2-[4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperazin-1-yl]phenol
CID 91767079
1-ethyl-8-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 56906495
1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56887580
1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-4-(thian-4-yl)piperazine
CID 77086729
3-(hydroxymethyl)-1-[(5-phenylthiophen-2-yl)methyl]pyrrolidin-3-ol
CID 77082470
N-[(4R,5S)-5-hydroxy-4-methyl-9-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 137336138
4-[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]azetidin-3-yl]pyridine
CID 131940360
5-propyl-1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72866458
2-(2-methoxyethyl)-8-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72855368
(3S)-2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 99954376
(4aR,7aS)-4-(2-methylpropyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 133111971

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-ol?
The IUPAC name of 4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-ol (CID 56755407) is 4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-ol?
The canonical SMILES for 4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-ol is OCC1(O)CCN(Cc2ccc(-c3ccn[nH]3)s2)CC1.
What is the InChIKey of 4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-ol?
The InChIKey is QKWYEUNZBWRBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c18-10-14(19)4-7-17(8-5-14)9-11-1-2-13(20-11)12-3-6-15-16-12/h1-3,6,18-19H,4-5,7-10H2,(H,15,16).
What are the key properties of 4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-ol?
4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-ol has a molecular weight of 293.39 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 56755407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).