methyl 4-[3-(dimethylamino)phenyl]piperazine-1-carboxylate

C14H21N3O2 — CID 110477788

IUPACmethyl 4-[3-(dimethylamino)phenyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2cccc(N(C)C)c2)CC1
InChIInChI=1S/C14H21N3O2/c1-15(2)12-5-4-6-13(11-12)16-7-9-17(10-8-16)14(18)19-3/h4-6,11H,7-10H2,1-3H3
InChIKeySVRKNPVYWNLKRO-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.64
Rot. Bonds2

About methyl 4-[3-(dimethylamino)phenyl]piperazine-1-carboxylate

methyl 4-[3-(dimethylamino)phenyl]piperazine-1-carboxylate (PubChem CID 110477788) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 4-[3-(dimethylamino)phenyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-(dimethylamino)phenyl]piperazine-1-carboxylate
PubChem CID110477788
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl 4-[3-(dimethylamino)phenyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2cccc(N(C)C)c2)CC1
InChIInChI=1S/C14H21N3O2/c1-15(2)12-5-4-6-13(11-12)16-7-9-17(10-8-16)14(18)19-3/h4-6,11H,7-10H2,1-3H3
InChIKeySVRKNPVYWNLKRO-UHFFFAOYSA-N
XLogP1.64
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3752841
cyclopropyl-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]methanone
CID 110478194
methyl 4-(3-methoxycarbonylphenyl)piperazine-1-carboxylate
CID 113078493
[3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 2598413
[4-(dimethylamino)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574396
4-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]benzaldehyde
CID 87257695
methyl 4-(4-aminophenyl)piperazine-1-carboxylate
CID 43461605
methyl 4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110754124
methyl 4-(4-acetamidophenyl)piperazine-1-carboxylate
CID 113078316
3-(4-benzylpiperazin-1-yl)-N,N-dimethylaniline
CID 110454866
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480
N-methyl-N,4-diphenylpiperazine-1-carboxamide
CID 890140

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(dimethylamino)phenyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[3-(dimethylamino)phenyl]piperazine-1-carboxylate (CID 110477788) is methyl 4-[3-(dimethylamino)phenyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[3-(dimethylamino)phenyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[3-(dimethylamino)phenyl]piperazine-1-carboxylate is COC(=O)N1CCN(c2cccc(N(C)C)c2)CC1.
What is the InChIKey of methyl 4-[3-(dimethylamino)phenyl]piperazine-1-carboxylate?
The InChIKey is SVRKNPVYWNLKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-15(2)12-5-4-6-13(11-12)16-7-9-17(10-8-16)14(18)19-3/h4-6,11H,7-10H2,1-3H3.
What are the key properties of methyl 4-[3-(dimethylamino)phenyl]piperazine-1-carboxylate?
methyl 4-[3-(dimethylamino)phenyl]piperazine-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(dimethylamino)phenyl]piperazine-1-carboxylate is sourced from PubChem (CID 110477788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).