[1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]piperidin-4-yl]methanol

C17H29ClN4O — CID 45184442

IUPAC[1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]piperidin-4-yl]methanol
SMILESCc1nn(C)c(Cl)c1CN1CCCC(N2CCC(CO)CC2)C1
InChIInChI=1S/C17H29ClN4O/c1-13-16(17(18)20(2)19-13)11-21-7-3-4-15(10-21)22-8-5-14(12-23)6-9-22/h14-15,23H,3-12H2,1-2H3
InChIKeyKCKALNXLAMHWKE-UHFFFAOYSA-N
MW340.90 g/mol
LogP2.05
Rot. Bonds4

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

[1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]piperidin-4-yl]methanol (PubChem CID 45184442) has the molecular formula C17H29ClN4O and a molecular weight of 340.90 g/mol. Its IUPAC name is [1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]piperidin-4-yl]methanol
PubChem CID45184442
Molecular FormulaC17H29ClN4O
Molecular Weight340.90 g/mol
Exact Mass340.20
IUPAC Name[1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]piperidin-4-yl]methanol
SMILESCc1nn(C)c(Cl)c1CN1CCCC(N2CCC(CO)CC2)C1
InChIInChI=1S/C17H29ClN4O/c1-13-16(17(18)20(2)19-13)11-21-7-3-4-15(10-21)22-8-5-14(12-23)6-9-22/h14-15,23H,3-12H2,1-2H3
InChIKeyKCKALNXLAMHWKE-UHFFFAOYSA-N
XLogP2.05
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]piperidin-4-yl]methanol (CID 45184442) is [1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]piperidin-4-yl]methanol is Cc1nn(C)c(Cl)c1CN1CCCC(N2CCC(CO)CC2)C1.
What is the InChIKey of [1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]piperidin-4-yl]methanol?
The InChIKey is KCKALNXLAMHWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClN4O/c1-13-16(17(18)20(2)19-13)11-21-7-3-4-15(10-21)22-8-5-14(12-23)6-9-22/h14-15,23H,3-12H2,1-2H3.
What are the key properties of [1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]piperidin-4-yl]methanol?
[1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]piperidin-4-yl]methanol has a molecular weight of 340.90 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 45184442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).