[1-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperidin-4-yl]methanol

C19H34N4O — CID 45191499

IUPAC[1-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperidin-4-yl]methanol
SMILESCCCn1ncc(CN2CCCC(N3CCC(CO)CC3)C2)c1C
InChIInChI=1S/C19H34N4O/c1-3-8-23-16(2)18(12-20-23)13-21-9-4-5-19(14-21)22-10-6-17(15-24)7-11-22/h12,17,19,24H,3-11,13-15H2,1-2H3
InChIKeyDFXHRPCTJWCOKK-UHFFFAOYSA-N
MW334.51 g/mol
LogP2.27
Rot. Bonds6

About [1-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperidin-4-yl]methanol

[1-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperidin-4-yl]methanol (PubChem CID 45191499) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is [1-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperidin-4-yl]methanol
PubChem CID45191499
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC Name[1-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperidin-4-yl]methanol
SMILESCCCn1ncc(CN2CCCC(N3CCC(CO)CC3)C2)c1C
InChIInChI=1S/C19H34N4O/c1-3-8-23-16(2)18(12-20-23)13-21-9-4-5-19(14-21)22-10-6-17(15-24)7-11-22/h12,17,19,24H,3-11,13-15H2,1-2H3
InChIKeyDFXHRPCTJWCOKK-UHFFFAOYSA-N
XLogP2.27
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperidin-4-yl]methanol (CID 45191499) is [1-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperidin-4-yl]methanol is CCCn1ncc(CN2CCCC(N3CCC(CO)CC3)C2)c1C.
What is the InChIKey of [1-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperidin-4-yl]methanol?
The InChIKey is DFXHRPCTJWCOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O/c1-3-8-23-16(2)18(12-20-23)13-21-9-4-5-19(14-21)22-10-6-17(15-24)7-11-22/h12,17,19,24H,3-11,13-15H2,1-2H3.
What are the key properties of [1-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperidin-4-yl]methanol?
[1-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperidin-4-yl]methanol has a molecular weight of 334.51 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 45191499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).