1-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperidin-3-ol

C14H26N4O — CID 61434543

IUPAC1-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperidin-3-ol
SMILESCc1nn(C)c(N2CCCC(O)C2)c1CNC(C)C
InChIInChI=1S/C14H26N4O/c1-10(2)15-8-13-11(3)16-17(4)14(13)18-7-5-6-12(19)9-18/h10,12,15,19H,5-9H2,1-4H3
InChIKeyIJCXWYPIPREGRD-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.19
Rot. Bonds4

About 1-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperidin-3-ol

1-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperidin-3-ol (PubChem CID 61434543) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperidin-3-ol
PubChem CID61434543
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperidin-3-ol
SMILESCc1nn(C)c(N2CCCC(O)C2)c1CNC(C)C
InChIInChI=1S/C14H26N4O/c1-10(2)15-8-13-11(3)16-17(4)14(13)18-7-5-6-12(19)9-18/h10,12,15,19H,5-9H2,1-4H3
InChIKeyIJCXWYPIPREGRD-UHFFFAOYSA-N
XLogP1.19
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperidin-3-ol?
The IUPAC name of 1-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperidin-3-ol (CID 61434543) is 1-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperidin-3-ol.
What is the SMILES notation for 1-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperidin-3-ol?
The canonical SMILES for 1-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperidin-3-ol is Cc1nn(C)c(N2CCCC(O)C2)c1CNC(C)C.
What is the InChIKey of 1-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperidin-3-ol?
The InChIKey is IJCXWYPIPREGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-10(2)15-8-13-11(3)16-17(4)14(13)18-7-5-6-12(19)9-18/h10,12,15,19H,5-9H2,1-4H3.
What are the key properties of 1-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperidin-3-ol?
1-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperidin-3-ol has a molecular weight of 266.39 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperidin-3-ol is sourced from PubChem (CID 61434543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).