2-methylpropyl 4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylate

C21H33N3O2 — CID 142773340

IUPAC2-methylpropyl 4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C21H33N3O2/c1-18(2)17-26-21(25)24-10-8-20(9-11-24)23-14-12-22(13-15-23)16-19-6-4-3-5-7-19/h3-7,18,20H,8-17H2,1-2H3
InChIKeyWWEOUZBBAQSWAY-UHFFFAOYSA-N
MW359.51 g/mol
LogP3.06
Rot. Bonds5

About 2-methylpropyl 4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylate

2-methylpropyl 4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylate (PubChem CID 142773340) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 2-methylpropyl 4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylate
PubChem CID142773340
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name2-methylpropyl 4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C21H33N3O2/c1-18(2)17-26-21(25)24-10-8-20(9-11-24)23-14-12-22(13-15-23)16-19-6-4-3-5-7-19/h3-7,18,20H,8-17H2,1-2H3
InChIKeyWWEOUZBBAQSWAY-UHFFFAOYSA-N
XLogP3.06
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]-3-methylbutan-1-one;oxalic acid
CID 2913366
4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylic acid
CID 69053980
2-methylpropyl 4-[(4-aminophenyl)methyl]piperazine-1-carboxylate
CID 68835926
1-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl acetate
CID 174615690
2-methylpropyl 4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxylate
CID 171072925
1-benzyl-4-cyclopropylpiperazine
CID 69195043
2-methylpropyl 4-piperazin-1-ylpiperidine-1-carboxylate
CID 142778163
1-benzyl-4-cyclohexylpiperazine;oxalic acid
CID 126476719
ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate
CID 3469280
1-(1-benzylpiperidin-4-yl)-4-[(4-bromophenyl)methyl]piperazine;oxalic acid
CID 17366692
1-(1-benzylpiperidin-4-yl)-4-[(3-methylphenyl)methyl]piperazine;oxalic acid
CID 17366774
ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylate (CID 142773340) is 2-methylpropyl 4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylate is CC(C)COC(=O)N1CCC(N2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 2-methylpropyl 4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylate?
The InChIKey is WWEOUZBBAQSWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-18(2)17-26-21(25)24-10-8-20(9-11-24)23-14-12-22(13-15-23)16-19-6-4-3-5-7-19/h3-7,18,20H,8-17H2,1-2H3.
What are the key properties of 2-methylpropyl 4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylate?
2-methylpropyl 4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylate has a molecular weight of 359.51 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(4-benzylpiperazin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 142773340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).