methyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate

C12H23N3O2 — CID 82511495

IUPACmethyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(CN2CCNCC2)CC1
InChIInChI=1S/C12H23N3O2/c1-17-12(16)15-6-2-11(3-7-15)10-14-8-4-13-5-9-14/h11,13H,2-10H2,1H3
InChIKeyOVRDVAISZHWQAP-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.37
Rot. Bonds2

About methyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate

methyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate (PubChem CID 82511495) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is methyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate
PubChem CID82511495
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Namemethyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(CN2CCNCC2)CC1
InChIInChI=1S/C12H23N3O2/c1-17-12(16)15-6-2-11(3-7-15)10-14-8-4-13-5-9-14/h11,13H,2-10H2,1H3
InChIKeyOVRDVAISZHWQAP-UHFFFAOYSA-N
XLogP0.37
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (3R)-3-(piperazin-1-ylmethyl)piperidine-1-carboxylate
CID 94830781
1-[4-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 172604358
ethane;methyl 4-propylpiperidine-1-carboxylate
CID 145047424
[4-(piperazin-1-ylmethyl)cyclohexyl]carbamic acid
CID 174235468
methyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 143987210
(2S)-2-amino-1-[4-[(4-piperazin-1-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 175919009
(4-methoxypiperidin-4-yl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 119894734
methyl 3-piperidin-4-ylpyrrolidine-1-carboxylate
CID 115269595
methyl 4-(imidazol-1-ylmethyl)piperidine-1-carboxylate
CID 139900806
N-methyl-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanamine
CID 156720132
1-[4-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 129178233
methyl 4-(2-methylsulfonylethyl)piperidine-1-carboxylate
CID 71165241

Frequently Asked Questions

What is the IUPAC name of methyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate?
The IUPAC name of methyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate (CID 82511495) is methyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate is COC(=O)N1CCC(CN2CCNCC2)CC1.
What is the InChIKey of methyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate?
The InChIKey is OVRDVAISZHWQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-17-12(16)15-6-2-11(3-7-15)10-14-8-4-13-5-9-14/h11,13H,2-10H2,1H3.
What are the key properties of methyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate?
methyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate is sourced from PubChem (CID 82511495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).