(R)-[(3S)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol

C15H22ClN5O — CID 124619440

IUPAC(R)-[(3S)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1[C@H](O)[C@H]1CCCN(Cc2c(Cl)cnn2C)C1
InChIInChI=1S/C15H22ClN5O/c1-19-7-5-17-15(19)14(22)11-4-3-6-21(9-11)10-13-12(16)8-18-20(13)2/h5,7-8,11,14,22H,3-4,6,9-10H2,1-2H3/t11-,14+/m0/s1
InChIKeyATKZEQYUKJBBNF-SMDDNHRTSA-N
MW323.83 g/mol
LogP1.75
Rot. Bonds4

About (R)-[(3S)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol

(R)-[(3S)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol (PubChem CID 124619440) has the molecular formula C15H22ClN5O and a molecular weight of 323.83 g/mol. Its IUPAC name is (R)-[(3S)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(R)-[(3S)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
PubChem CID124619440
Molecular FormulaC15H22ClN5O
Molecular Weight323.83 g/mol
Exact Mass323.15
IUPAC Name(R)-[(3S)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1[C@H](O)[C@H]1CCCN(Cc2c(Cl)cnn2C)C1
InChIInChI=1S/C15H22ClN5O/c1-19-7-5-17-15(19)14(22)11-4-3-6-21(9-11)10-13-12(16)8-18-20(13)2/h5,7-8,11,14,22H,3-4,6,9-10H2,1-2H3/t11-,14+/m0/s1
InChIKeyATKZEQYUKJBBNF-SMDDNHRTSA-N
XLogP1.75
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclooctyl-2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide
CID 97075772
(4-chloro-1-ethylpyrazol-5-yl)-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 125156741
2-[(3S)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 97236480
(1-methylimidazol-2-yl)-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 133384388
(3S)-N-(2-chlorophenyl)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 97236430
(1-methylimidazol-2-yl)-(1-pyridin-2-ylpiperidin-3-yl)methanol
CID 133384569
[1-(1-chloroisoquinolin-3-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 133384424
4-chloro-2-(3-chloro-4-methylphenyl)-5-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyridazin-3-one
CID 133384531
[1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 133384627
[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 77078802
3-chloro-5-[[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]phenol
CID 136568437
(3-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol
CID 65400333

Frequently Asked Questions

What is the IUPAC name of (R)-[(3S)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of (R)-[(3S)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol (CID 124619440) is (R)-[(3S)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for (R)-[(3S)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for (R)-[(3S)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol is Cn1ccnc1[C@H](O)[C@H]1CCCN(Cc2c(Cl)cnn2C)C1.
What is the InChIKey of (R)-[(3S)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is ATKZEQYUKJBBNF-SMDDNHRTSA-N. The full InChI is InChI=1S/C15H22ClN5O/c1-19-7-5-17-15(19)14(22)11-4-3-6-21(9-11)10-13-12(16)8-18-20(13)2/h5,7-8,11,14,22H,3-4,6,9-10H2,1-2H3/t11-,14+/m0/s1.
What are the key properties of (R)-[(3S)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol?
(R)-[(3S)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 323.83 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(3S)-1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 124619440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).