[(3S,4S)-4-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol

C17H30N4O — CID 91910140

IUPAC[(3S,4S)-4-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol
SMILESCCn1cc(CN2CCC([C@@H]3CNC[C@H]3CO)CC2)c(C)n1
InChIInChI=1S/C17H30N4O/c1-3-21-11-16(13(2)19-21)10-20-6-4-14(5-7-20)17-9-18-8-15(17)12-22/h11,14-15,17-18,22H,3-10,12H2,1-2H3/t15-,17-/m0/s1
InChIKeyKQNRZCDTBNJDLS-RDJZCZTQSA-N
MW306.45 g/mol
LogP1.25
Rot. Bonds5

About [(3S,4S)-4-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol

[(3S,4S)-4-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol (PubChem CID 91910140) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is [(3S,4S)-4-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-4-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol
PubChem CID91910140
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name[(3S,4S)-4-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol
SMILESCCn1cc(CN2CCC([C@@H]3CNC[C@H]3CO)CC2)c(C)n1
InChIInChI=1S/C17H30N4O/c1-3-21-11-16(13(2)19-21)10-20-6-4-14(5-7-20)17-9-18-8-15(17)12-22/h11,14-15,17-18,22H,3-10,12H2,1-2H3/t15-,17-/m0/s1
InChIKeyKQNRZCDTBNJDLS-RDJZCZTQSA-N
XLogP1.25
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.25
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-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4S)-4-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol (CID 91910140) is [(3S,4S)-4-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4S)-4-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4S)-4-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol is CCn1cc(CN2CCC([C@@H]3CNC[C@H]3CO)CC2)c(C)n1.
What is the InChIKey of [(3S,4S)-4-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol?
The InChIKey is KQNRZCDTBNJDLS-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H30N4O/c1-3-21-11-16(13(2)19-21)10-20-6-4-14(5-7-20)17-9-18-8-15(17)12-22/h11,14-15,17-18,22H,3-10,12H2,1-2H3/t15-,17-/m0/s1.
What are the key properties of [(3S,4S)-4-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol?
[(3S,4S)-4-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol has a molecular weight of 306.45 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 91910140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).