[(3S,4S)-4-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol

C16H28N4O — CID 91910340

IUPAC[(3S,4S)-4-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol
SMILESCc1cc(CN2CCC([C@@H]3CNC[C@H]3CO)CC2)n(C)n1
InChIInChI=1S/C16H28N4O/c1-12-7-15(19(2)18-12)10-20-5-3-13(4-6-20)16-9-17-8-14(16)11-21/h7,13-14,16-17,21H,3-6,8-11H2,1-2H3/t14-,16-/m0/s1
InChIKeyYMHCRGUWPCFPAM-HOCLYGCPSA-N
MW292.43 g/mol
LogP0.77
Rot. Bonds4

About [(3S,4S)-4-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol

[(3S,4S)-4-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol (PubChem CID 91910340) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is [(3S,4S)-4-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-4-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol
PubChem CID91910340
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name[(3S,4S)-4-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol
SMILESCc1cc(CN2CCC([C@@H]3CNC[C@H]3CO)CC2)n(C)n1
InChIInChI=1S/C16H28N4O/c1-12-7-15(19(2)18-12)10-20-5-3-13(4-6-20)16-9-17-8-14(16)11-21/h7,13-14,16-17,21H,3-6,8-11H2,1-2H3/t14-,16-/m0/s1
InChIKeyYMHCRGUWPCFPAM-HOCLYGCPSA-N
XLogP0.77
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4S)-4-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol (CID 91910340) is [(3S,4S)-4-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4S)-4-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4S)-4-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol is Cc1cc(CN2CCC([C@@H]3CNC[C@H]3CO)CC2)n(C)n1.
What is the InChIKey of [(3S,4S)-4-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol?
The InChIKey is YMHCRGUWPCFPAM-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12-7-15(19(2)18-12)10-20-5-3-13(4-6-20)16-9-17-8-14(16)11-21/h7,13-14,16-17,21H,3-6,8-11H2,1-2H3/t14-,16-/m0/s1.
What are the key properties of [(3S,4S)-4-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol?
[(3S,4S)-4-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol has a molecular weight of 292.43 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 91910340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).