1-[3-(1H-pyrazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol

C14H19N5O — CID 167886198

IUPAC1-[3-(1H-pyrazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol
SMILESOC1CCN(c2ncccc2NCc2cn[nH]c2)CC1
InChIInChI=1S/C14H19N5O/c20-12-3-6-19(7-4-12)14-13(2-1-5-15-14)16-8-11-9-17-18-10-11/h1-2,5,9-10,12,16,20H,3-4,6-8H2,(H,17,18)
InChIKeyNBLXNKSRACZBGB-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.38
Rot. Bonds4

About 1-[3-(1H-pyrazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol

1-[3-(1H-pyrazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol (PubChem CID 167886198) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[3-(1H-pyrazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-(1H-pyrazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol
PubChem CID167886198
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-[3-(1H-pyrazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol
SMILESOC1CCN(c2ncccc2NCc2cn[nH]c2)CC1
InChIInChI=1S/C14H19N5O/c20-12-3-6-19(7-4-12)14-13(2-1-5-15-14)16-8-11-9-17-18-10-11/h1-2,5,9-10,12,16,20H,3-4,6-8H2,(H,17,18)
InChIKeyNBLXNKSRACZBGB-UHFFFAOYSA-N
XLogP1.38
TPSA77.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(3-phenylphenyl)methylamino]-2-pyridinyl]piperidin-4-ol
CID 75391244
1-[3-(thieno[3,2-b]pyridin-6-ylmethylamino)-2-pyridinyl]piperidin-4-ol
CID 166197283
1-[3-(fluoroamino)-2-pyridinyl]piperidin-4-ol
CID 89185599
1-[3-(2,1,3-benzothiadiazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol
CID 167834826
4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol
CID 43676426
2-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)pyridin-3-amine
CID 55060167
2-[4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol
CID 64831402
2-bromo-4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]phenol
CID 63045195
N-[(3-bromophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676391
1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol
CID 168580176
N-(pyrazin-2-ylmethyl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 62761986
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]acetamide
CID 126801505

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-pyrazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol?
The IUPAC name of 1-[3-(1H-pyrazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol (CID 167886198) is 1-[3-(1H-pyrazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-(1H-pyrazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol?
The canonical SMILES for 1-[3-(1H-pyrazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol is OC1CCN(c2ncccc2NCc2cn[nH]c2)CC1.
What is the InChIKey of 1-[3-(1H-pyrazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol?
The InChIKey is NBLXNKSRACZBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c20-12-3-6-19(7-4-12)14-13(2-1-5-15-14)16-8-11-9-17-18-10-11/h1-2,5,9-10,12,16,20H,3-4,6-8H2,(H,17,18).
What are the key properties of 1-[3-(1H-pyrazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol?
1-[3-(1H-pyrazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol has a molecular weight of 273.34 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-pyrazol-4-ylmethylamino)-2-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 167886198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).