(2S)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-3-methoxypropan-2-ol

C12H20ClN3O2 — CID 110019591

IUPAC(2S)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-3-methoxypropan-2-ol
SMILESCOC[C@@H](O)CN1CCC(n2cc(Cl)cn2)CC1
InChIInChI=1S/C12H20ClN3O2/c1-18-9-12(17)8-15-4-2-11(3-5-15)16-7-10(13)6-14-16/h6-7,11-12,17H,2-5,8-9H2,1H3/t12-/m0/s1
InChIKeyPRHNBEJCYHYTOL-LBPRGKRZSA-N
MW273.76 g/mol
LogP1.18
Rot. Bonds5

About (2S)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-3-methoxypropan-2-ol

(2S)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-3-methoxypropan-2-ol (PubChem CID 110019591) has the molecular formula C12H20ClN3O2 and a molecular weight of 273.76 g/mol. Its IUPAC name is (2S)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-3-methoxypropan-2-ol
PubChem CID110019591
Molecular FormulaC12H20ClN3O2
Molecular Weight273.76 g/mol
Exact Mass273.12
IUPAC Name(2S)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-3-methoxypropan-2-ol
SMILESCOC[C@@H](O)CN1CCC(n2cc(Cl)cn2)CC1
InChIInChI=1S/C12H20ClN3O2/c1-18-9-12(17)8-15-4-2-11(3-5-15)16-7-10(13)6-14-16/h6-7,11-12,17H,2-5,8-9H2,1H3/t12-/m0/s1
InChIKeyPRHNBEJCYHYTOL-LBPRGKRZSA-N
XLogP1.18
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]butan-2-ol
CID 110019596
1-(3-chlorophenyl)-2-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]ethanol
CID 110019592
1-[4-(2-hydroxy-3-methoxypropyl)piperazin-1-yl]-3-methoxypropan-2-ol
CID 13310876
4-chloro-1-(oxan-4-yl)pyrazole
CID 84732827
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]urea
CID 126770316
1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbaldehyde
CID 63928651
1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbonitrile
CID 63979053
1-(2-hydroxy-3-methoxypropyl)pyrrolidin-3-ol
CID 63930667
(2S)-1-[4-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperazin-1-yl]-3-methoxypropan-2-ol
CID 51599121
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 112627641
[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]carbamic acid
CID 154258087
1-methoxy-3-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63929279

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-3-methoxypropan-2-ol?
The IUPAC name of (2S)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-3-methoxypropan-2-ol (CID 110019591) is (2S)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-3-methoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-3-methoxypropan-2-ol?
The canonical SMILES for (2S)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-3-methoxypropan-2-ol is COC[C@@H](O)CN1CCC(n2cc(Cl)cn2)CC1.
What is the InChIKey of (2S)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-3-methoxypropan-2-ol?
The InChIKey is PRHNBEJCYHYTOL-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H20ClN3O2/c1-18-9-12(17)8-15-4-2-11(3-5-15)16-7-10(13)6-14-16/h6-7,11-12,17H,2-5,8-9H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-3-methoxypropan-2-ol?
(2S)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-3-methoxypropan-2-ol has a molecular weight of 273.76 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-3-methoxypropan-2-ol is sourced from PubChem (CID 110019591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).