[1-[6-(hydroxymethyl)-3-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

C19H30N4O3 — CID 89487575

IUPAC[1-[6-(hydroxymethyl)-3-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC2CCN(c3ccc(CO)nc3)CC2)CC1
InChIInChI=1S/C19H30N4O3/c1-15(2)21-9-11-23(12-10-21)19(25)26-18-5-7-22(8-6-18)17-4-3-16(14-24)20-13-17/h3-4,13,15,18,24H,5-12,14H2,1-2H3
InChIKeyBUOHZOFCBOCKEZ-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.71
Rot. Bonds4

About [1-[6-(hydroxymethyl)-3-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

[1-[6-(hydroxymethyl)-3-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 89487575) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is [1-[6-(hydroxymethyl)-3-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-[6-(hydroxymethyl)-3-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID89487575
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name[1-[6-(hydroxymethyl)-3-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC2CCN(c3ccc(CO)nc3)CC2)CC1
InChIInChI=1S/C19H30N4O3/c1-15(2)21-9-11-23(12-10-21)19(25)26-18-5-7-22(8-6-18)17-4-3-16(14-24)20-13-17/h3-4,13,15,18,24H,5-12,14H2,1-2H3
InChIKeyBUOHZOFCBOCKEZ-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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Frequently Asked Questions

What is the IUPAC name of [1-[6-(hydroxymethyl)-3-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of [1-[6-(hydroxymethyl)-3-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (CID 89487575) is [1-[6-(hydroxymethyl)-3-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for [1-[6-(hydroxymethyl)-3-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for [1-[6-(hydroxymethyl)-3-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is CC(C)N1CCN(C(=O)OC2CCN(c3ccc(CO)nc3)CC2)CC1.
What is the InChIKey of [1-[6-(hydroxymethyl)-3-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is BUOHZOFCBOCKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-15(2)21-9-11-23(12-10-21)19(25)26-18-5-7-22(8-6-18)17-4-3-16(14-24)20-13-17/h3-4,13,15,18,24H,5-12,14H2,1-2H3.
What are the key properties of [1-[6-(hydroxymethyl)-3-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
[1-[6-(hydroxymethyl)-3-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)-3-pyridinyl]piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 89487575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).