tert-butyl 4-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-1-carboxylate

C19H30N4O2 — CID 54580903

IUPACtert-butyl 4-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C19H30N4O2/c1-19(2,3)25-18(24)23-13-7-16(8-14-23)15-5-11-22(12-6-15)17-20-9-4-10-21-17/h4,9-10,15-16H,5-8,11-14H2,1-3H3
InChIKeyQIKMKYWRYBRCJY-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.34
Rot. Bonds2

About tert-butyl 4-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-1-carboxylate

tert-butyl 4-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-1-carboxylate (PubChem CID 54580903) has the molecular formula C19H30N4O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is tert-butyl 4-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-1-carboxylate
PubChem CID54580903
Molecular FormulaC19H30N4O2
Molecular Weight346.47 g/mol
Exact Mass346.24
IUPAC Nametert-butyl 4-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C19H30N4O2/c1-19(2,3)25-18(24)23-13-7-16(8-14-23)15-5-11-22(12-6-15)17-20-9-4-10-21-17/h4,9-10,15-16H,5-8,11-14H2,1-3H3
InChIKeyQIKMKYWRYBRCJY-UHFFFAOYSA-N
XLogP3.34
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-1-carboxylate (CID 54580903) is tert-butyl 4-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C2CCN(c3ncccn3)CC2)CC1.
What is the InChIKey of tert-butyl 4-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-1-carboxylate?
The InChIKey is QIKMKYWRYBRCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-19(2,3)25-18(24)23-13-7-16(8-14-23)15-5-11-22(12-6-15)17-20-9-4-10-21-17/h4,9-10,15-16H,5-8,11-14H2,1-3H3.
What are the key properties of tert-butyl 4-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-1-carboxylate?
tert-butyl 4-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-1-carboxylate has a molecular weight of 346.47 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-1-carboxylate is sourced from PubChem (CID 54580903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).