1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]butan-2-ol

C12H20ClN3O — CID 110019596

IUPAC1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]butan-2-ol
SMILESCCC(O)CN1CCC(n2cc(Cl)cn2)CC1
InChIInChI=1S/C12H20ClN3O/c1-2-12(17)9-15-5-3-11(4-6-15)16-8-10(13)7-14-16/h7-8,11-12,17H,2-6,9H2,1H3
InChIKeyFRWHYWPMFWTZTN-UHFFFAOYSA-N
MW257.76 g/mol
LogP1.94
Rot. Bonds4

About 1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]butan-2-ol

1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]butan-2-ol (PubChem CID 110019596) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]butan-2-ol.

Molecular Properties

Compound Name1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]butan-2-ol
PubChem CID110019596
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]butan-2-ol
SMILESCCC(O)CN1CCC(n2cc(Cl)cn2)CC1
InChIInChI=1S/C12H20ClN3O/c1-2-12(17)9-15-5-3-11(4-6-15)16-8-10(13)7-14-16/h7-8,11-12,17H,2-6,9H2,1H3
InChIKeyFRWHYWPMFWTZTN-UHFFFAOYSA-N
XLogP1.94
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-3-methoxypropan-2-ol
CID 110019591
1-(3-chlorophenyl)-2-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]ethanol
CID 110019592
4-chloro-1-(oxan-4-yl)pyrazole
CID 84732827
4-(4-chloropyrazol-1-yl)piperidine;hydrochloride
CID 71758511
6-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]hexan-3-one
CID 163401350
ethyl 7-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 146279032
4-(4-chloropyrazol-1-yl)cyclohexane-1-carbaldehyde
CID 155374177
[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone
CID 146081322
1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]hexan-3-one
CID 163401121
4-(4-nitropyrazol-1-yl)-1-(2,3,3-trifluoropropyl)piperidine
CID 175357938
1-[4-(ethylamino)piperidin-1-yl]butan-2-ol
CID 60883910
1-(2-hydroxybutyl)piperidine-4-carbonitrile
CID 63631900

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]butan-2-ol?
The IUPAC name of 1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]butan-2-ol (CID 110019596) is 1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]butan-2-ol.
What is the SMILES notation for 1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]butan-2-ol?
The canonical SMILES for 1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]butan-2-ol is CCC(O)CN1CCC(n2cc(Cl)cn2)CC1.
What is the InChIKey of 1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]butan-2-ol?
The InChIKey is FRWHYWPMFWTZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-2-12(17)9-15-5-3-11(4-6-15)16-8-10(13)7-14-16/h7-8,11-12,17H,2-6,9H2,1H3.
What are the key properties of 1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]butan-2-ol?
1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]butan-2-ol has a molecular weight of 257.76 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]butan-2-ol is sourced from PubChem (CID 110019596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).