[4-[4-(dibenzylamino)cyclohexyl]piperazin-1-yl] ethyl carbonate

C27H37N3O3 — CID 67293148

IUPAC[4-[4-(dibenzylamino)cyclohexyl]piperazin-1-yl] ethyl carbonate
SMILESCCOC(=O)ON1CCN(C2CCC(N(Cc3ccccc3)Cc3ccccc3)CC2)CC1
InChIInChI=1S/C27H37N3O3/c1-2-32-27(31)33-30-19-17-28(18-20-30)25-13-15-26(16-14-25)29(21-23-9-5-3-6-10-23)22-24-11-7-4-8-12-24/h3-12,25-26H,2,13-22H2,1H3
InChIKeyIAYDACDOJGPINQ-UHFFFAOYSA-N
MW451.61 g/mol
LogP4.71
Rot. Bonds8

About [4-[4-(dibenzylamino)cyclohexyl]piperazin-1-yl] ethyl carbonate

[4-[4-(dibenzylamino)cyclohexyl]piperazin-1-yl] ethyl carbonate (PubChem CID 67293148) has the molecular formula C27H37N3O3 and a molecular weight of 451.61 g/mol. Its IUPAC name is [4-[4-(dibenzylamino)cyclohexyl]piperazin-1-yl] ethyl carbonate.

Molecular Properties

Compound Name[4-[4-(dibenzylamino)cyclohexyl]piperazin-1-yl] ethyl carbonate
PubChem CID67293148
Molecular FormulaC27H37N3O3
Molecular Weight451.61 g/mol
Exact Mass451.28
IUPAC Name[4-[4-(dibenzylamino)cyclohexyl]piperazin-1-yl] ethyl carbonate
SMILESCCOC(=O)ON1CCN(C2CCC(N(Cc3ccccc3)Cc3ccccc3)CC2)CC1
InChIInChI=1S/C27H37N3O3/c1-2-32-27(31)33-30-19-17-28(18-20-30)25-13-15-26(16-14-25)29(21-23-9-5-3-6-10-23)22-24-11-7-4-8-12-24/h3-12,25-26H,2,13-22H2,1H3
InChIKeyIAYDACDOJGPINQ-UHFFFAOYSA-N
XLogP4.71
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.61
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(dibenzylamino)-1-methylcyclohexane-1-carboxylate
CID 171314830
ethyl 2-[benzyl(cycloheptyl)amino]acetate
CID 82925724
benzyl (4-piperazin-1-ylpiperidin-1-yl) carbonate
CID 69119896
ethyl 2-[(4R)-4-(dibenzylamino)-2-oxopiperidin-1-yl]acetate
CID 10762341
ethyl 3-(dibenzylamino)-1-methylcyclopentane-1-carboxylate
CID 171699728
[4-(dibenzylamino)cyclohexyl] benzoate
CID 58137959
ethyl 4-[benzyl(cyclopropyl)amino]-4-oxobutanoate
CID 60725115
[3-[benzyl(ethyl)amino]pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174881651
N-benzyl-1-cyclohexyl-N-methylpiperidin-4-amine;oxalic acid
CID 17369346
1-cyclopropyl-2-[4-(dibenzylamino)cyclohexyl]oxyethanone
CID 139369144
trans-ethyl (2S,4R)-4-(dibenzylamino)-2-ethylcyclopentane-1-carboxylate
CID 58010141
N,N-dibenzylcyclobutanamine
CID 70822586

Frequently Asked Questions

What is the IUPAC name of [4-[4-(dibenzylamino)cyclohexyl]piperazin-1-yl] ethyl carbonate?
The IUPAC name of [4-[4-(dibenzylamino)cyclohexyl]piperazin-1-yl] ethyl carbonate (CID 67293148) is [4-[4-(dibenzylamino)cyclohexyl]piperazin-1-yl] ethyl carbonate.
What is the SMILES notation for [4-[4-(dibenzylamino)cyclohexyl]piperazin-1-yl] ethyl carbonate?
The canonical SMILES for [4-[4-(dibenzylamino)cyclohexyl]piperazin-1-yl] ethyl carbonate is CCOC(=O)ON1CCN(C2CCC(N(Cc3ccccc3)Cc3ccccc3)CC2)CC1.
What is the InChIKey of [4-[4-(dibenzylamino)cyclohexyl]piperazin-1-yl] ethyl carbonate?
The InChIKey is IAYDACDOJGPINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O3/c1-2-32-27(31)33-30-19-17-28(18-20-30)25-13-15-26(16-14-25)29(21-23-9-5-3-6-10-23)22-24-11-7-4-8-12-24/h3-12,25-26H,2,13-22H2,1H3.
What are the key properties of [4-[4-(dibenzylamino)cyclohexyl]piperazin-1-yl] ethyl carbonate?
[4-[4-(dibenzylamino)cyclohexyl]piperazin-1-yl] ethyl carbonate has a molecular weight of 451.61 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(dibenzylamino)cyclohexyl]piperazin-1-yl] ethyl carbonate is sourced from PubChem (CID 67293148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).