[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

C19H30N4O3 — CID 89487917

IUPAC[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC2CCN(c3cccc(CO)n3)CC2)CC1
InChIInChI=1S/C19H30N4O3/c1-15(2)21-10-12-23(13-11-21)19(25)26-17-6-8-22(9-7-17)18-5-3-4-16(14-24)20-18/h3-5,15,17,24H,6-14H2,1-2H3
InChIKeyWZZLPDGFSUFHNS-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.71
Rot. Bonds4

About [1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 89487917) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is [1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID89487917
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC2CCN(c3cccc(CO)n3)CC2)CC1
InChIInChI=1S/C19H30N4O3/c1-15(2)21-10-12-23(13-11-21)19(25)26-17-6-8-22(9-7-17)18-5-3-4-16(14-24)20-18/h3-5,15,17,24H,6-14H2,1-2H3
InChIKeyWZZLPDGFSUFHNS-UHFFFAOYSA-N
XLogP1.71
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[6-(Trifluoromethyl)pyridin-2-yl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 71522477
[1-[6-(Methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
CID 89487855
[1-(6-Isocyano-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 122198059
[1-[5-(2-Hydroxypropan-2-yl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487615
[1-[5-(Hydroxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487738
[1-(6-Methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487801
[1-[4-(Hydroxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487862
[1-[6-(Methoxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487883
1-[2-[Di(propan-2-yl)amino]ethyl]-1-[6-(hydroxymethyl)-4-methyl-2-pyridinyl]-3,3-dimethylurea
CID 20339472
2-{9-[6-(1-Hydroxyethyl)-2-pyridinyl]-3-oxo-2,9-diazaspiro[5.5]undec-2-yl}acetamide
CID 72837268
2-Cyclopentyl-9-[6-(1-hydroxyethyl)-2-pyridinyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72890901
Tert-butyl[tert-butoxycarbonyl(6-hydroxymethylpyridin-2-yl)amino]acetate
CID 86651768

Frequently Asked Questions

What is the IUPAC name of [1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of [1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (CID 89487917) is [1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for [1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for [1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is CC(C)N1CCN(C(=O)OC2CCN(c3cccc(CO)n3)CC2)CC1.
What is the InChIKey of [1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is WZZLPDGFSUFHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-15(2)21-10-12-23(13-11-21)19(25)26-17-6-8-22(9-7-17)18-5-3-4-16(14-24)20-18/h3-5,15,17,24H,6-14H2,1-2H3.
What are the key properties of [1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
[1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 89487917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).