(3R,6S)-6-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol

C9H15N3O — CID 126655366

IUPAC(3R,6S)-6-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol
SMILESC[C@H]1CC[C@@H](O)CN1c1ccn[nH]1
InChIInChI=1S/C9H15N3O/c1-7-2-3-8(13)6-12(7)9-4-5-10-11-9/h4-5,7-8,13H,2-3,6H2,1H3,(H,10,11)/t7-,8+/m0/s1
InChIKeyRQBSGHYXVAHALP-JGVFFNPUSA-N
MW181.24 g/mol
LogP0.76
Rot. Bonds1

About (3R,6S)-6-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol

(3R,6S)-6-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol (PubChem CID 126655366) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (3R,6S)-6-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,6S)-6-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol
PubChem CID126655366
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(3R,6S)-6-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol
SMILESC[C@H]1CC[C@@H](O)CN1c1ccn[nH]1
InChIInChI=1S/C9H15N3O/c1-7-2-3-8(13)6-12(7)9-4-5-10-11-9/h4-5,7-8,13H,2-3,6H2,1H3,(H,10,11)/t7-,8+/m0/s1
InChIKeyRQBSGHYXVAHALP-JGVFFNPUSA-N
XLogP0.76
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,6S)-6-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol?
The IUPAC name of (3R,6S)-6-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol (CID 126655366) is (3R,6S)-6-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol.
What is the SMILES notation for (3R,6S)-6-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol?
The canonical SMILES for (3R,6S)-6-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol is C[C@H]1CC[C@@H](O)CN1c1ccn[nH]1.
What is the InChIKey of (3R,6S)-6-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol?
The InChIKey is RQBSGHYXVAHALP-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-2-3-8(13)6-12(7)9-4-5-10-11-9/h4-5,7-8,13H,2-3,6H2,1H3,(H,10,11)/t7-,8+/m0/s1.
What are the key properties of (3R,6S)-6-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol?
(3R,6S)-6-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol has a molecular weight of 181.24 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-6-methyl-1-(1H-pyrazol-5-yl)piperidin-3-ol is sourced from PubChem (CID 126655366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).