methyl 4-piperazin-1-yl-1-propan-2-ylpiperidine-4-carboxylate

C14H27N3O2 — CID 54895312

IUPACmethyl 4-piperazin-1-yl-1-propan-2-ylpiperidine-4-carboxylate
SMILESCOC(=O)C1(N2CCNCC2)CCN(C(C)C)CC1
InChIInChI=1S/C14H27N3O2/c1-12(2)16-8-4-14(5-9-16,13(18)19-3)17-10-6-15-7-11-17/h12,15H,4-11H2,1-3H3
InChIKeyYNXHTFCBIDQFFB-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.31
Rot. Bonds3

About methyl 4-piperazin-1-yl-1-propan-2-ylpiperidine-4-carboxylate

methyl 4-piperazin-1-yl-1-propan-2-ylpiperidine-4-carboxylate (PubChem CID 54895312) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is methyl 4-piperazin-1-yl-1-propan-2-ylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-piperazin-1-yl-1-propan-2-ylpiperidine-4-carboxylate
PubChem CID54895312
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Namemethyl 4-piperazin-1-yl-1-propan-2-ylpiperidine-4-carboxylate
SMILESCOC(=O)C1(N2CCNCC2)CCN(C(C)C)CC1
InChIInChI=1S/C14H27N3O2/c1-12(2)16-8-4-14(5-9-16,13(18)19-3)17-10-6-15-7-11-17/h12,15H,4-11H2,1-3H3
InChIKeyYNXHTFCBIDQFFB-UHFFFAOYSA-N
XLogP0.31
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1,1-dioxo-4-piperazin-1-ylthiane-4-carboxylate
CID 54981399
methyl 4,4-dimethyl-1-piperazin-1-ylcycloheptane-1-carboxylate
CID 65085861
methyl 3-(1,4-diazepan-1-yl)-1-methylpyrrolidine-3-carboxylate
CID 62976408
methyl 1-piperazin-1-yl-4-propylcyclohexane-1-carboxylate
CID 54895216
methyl 3-piperazin-1-ylthiane-3-carboxylate
CID 62872957
methyl 1-(1,4-diazepan-1-yl)-3,3,5,5-tetramethylcyclohexane-1-carboxylate
CID 115999224
methyl 1-(4,4-difluoropiperidin-1-yl)cyclopropane-1-carboxylate
CID 169171710
methyl 1-piperazin-1-yl-4-propylcycloheptane-1-carboxylate
CID 65089164
methyl 3-(1,4-diazepan-1-yl)thiane-3-carboxylate
CID 62872953
ethyl 1-methyl-4-piperazin-1-ylpiperidine-4-carboxylate
CID 54895081
(E)-but-2-enedioic acid;1-propan-2-ylpiperazine
CID 70108433
methyl 3-cyclopropyl-1-(1,4-diazepan-1-yl)cyclohexane-1-carboxylate
CID 64625445

Frequently Asked Questions

What is the IUPAC name of methyl 4-piperazin-1-yl-1-propan-2-ylpiperidine-4-carboxylate?
The IUPAC name of methyl 4-piperazin-1-yl-1-propan-2-ylpiperidine-4-carboxylate (CID 54895312) is methyl 4-piperazin-1-yl-1-propan-2-ylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 4-piperazin-1-yl-1-propan-2-ylpiperidine-4-carboxylate?
The canonical SMILES for methyl 4-piperazin-1-yl-1-propan-2-ylpiperidine-4-carboxylate is COC(=O)C1(N2CCNCC2)CCN(C(C)C)CC1.
What is the InChIKey of methyl 4-piperazin-1-yl-1-propan-2-ylpiperidine-4-carboxylate?
The InChIKey is YNXHTFCBIDQFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-12(2)16-8-4-14(5-9-16,13(18)19-3)17-10-6-15-7-11-17/h12,15H,4-11H2,1-3H3.
What are the key properties of methyl 4-piperazin-1-yl-1-propan-2-ylpiperidine-4-carboxylate?
methyl 4-piperazin-1-yl-1-propan-2-ylpiperidine-4-carboxylate has a molecular weight of 269.39 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-piperazin-1-yl-1-propan-2-ylpiperidine-4-carboxylate is sourced from PubChem (CID 54895312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).