benzyl (4-piperazin-1-ylpiperidin-1-yl) carbonate

C17H25N3O3 — CID 69119896

IUPACbenzyl (4-piperazin-1-ylpiperidin-1-yl) carbonate
SMILESO=C(OCc1ccccc1)ON1CCC(N2CCNCC2)CC1
InChIInChI=1S/C17H25N3O3/c21-17(22-14-15-4-2-1-3-5-15)23-20-10-6-16(7-11-20)19-12-8-18-9-13-19/h1-5,16,18H,6-14H2
InChIKeyBAJPVHBECZVVTE-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.62
Rot. Bonds4

About benzyl (4-piperazin-1-ylpiperidin-1-yl) carbonate

benzyl (4-piperazin-1-ylpiperidin-1-yl) carbonate (PubChem CID 69119896) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is benzyl (4-piperazin-1-ylpiperidin-1-yl) carbonate.

Molecular Properties

Compound Namebenzyl (4-piperazin-1-ylpiperidin-1-yl) carbonate
PubChem CID69119896
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Namebenzyl (4-piperazin-1-ylpiperidin-1-yl) carbonate
SMILESO=C(OCc1ccccc1)ON1CCC(N2CCNCC2)CC1
InChIInChI=1S/C17H25N3O3/c21-17(22-14-15-4-2-1-3-5-15)23-20-10-6-16(7-11-20)19-12-8-18-9-13-19/h1-5,16,18H,6-14H2
InChIKeyBAJPVHBECZVVTE-UHFFFAOYSA-N
XLogP1.62
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 4-piperidin-4-ylpiperazine-1-carboxylate
CID 57470863
benzyl (3-oxopiperazin-1-yl) carbonate
CID 68738523
benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
benzyl 4-(piperazine-1-carbonyl)cyclohexane-1-carboxylate
CID 66773233
benzyl (4R)-4-pyrrolidin-1-ylazepane-1-carboxylate
CID 71192780
[4-[4-(dibenzylamino)cyclohexyl]piperazin-1-yl] ethyl carbonate
CID 67293148
ethyl 2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]acetate;ethyl 2-(4-piperazin-1-ylpiperidin-1-yl)acetate;dihydrate
CID 159626806
benzyl (2S)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride
CID 45072579
benzyl 4-(4-aminocyclohexyl)piperazine-1-carboxylate
CID 70843461
benzyl 4-(4-methoxypiperidin-1-yl)piperidine-1-carboxylate
CID 69040986
bis(phenylmethoxycarbonyl) 1,2,3,4-tetrahydronaphthalene-1,4-dicarboxylate
CID 134590867
benzyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate
CID 146597094

Frequently Asked Questions

What is the IUPAC name of benzyl (4-piperazin-1-ylpiperidin-1-yl) carbonate?
The IUPAC name of benzyl (4-piperazin-1-ylpiperidin-1-yl) carbonate (CID 69119896) is benzyl (4-piperazin-1-ylpiperidin-1-yl) carbonate.
What is the SMILES notation for benzyl (4-piperazin-1-ylpiperidin-1-yl) carbonate?
The canonical SMILES for benzyl (4-piperazin-1-ylpiperidin-1-yl) carbonate is O=C(OCc1ccccc1)ON1CCC(N2CCNCC2)CC1.
What is the InChIKey of benzyl (4-piperazin-1-ylpiperidin-1-yl) carbonate?
The InChIKey is BAJPVHBECZVVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c21-17(22-14-15-4-2-1-3-5-15)23-20-10-6-16(7-11-20)19-12-8-18-9-13-19/h1-5,16,18H,6-14H2.
What are the key properties of benzyl (4-piperazin-1-ylpiperidin-1-yl) carbonate?
benzyl (4-piperazin-1-ylpiperidin-1-yl) carbonate has a molecular weight of 319.40 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4-piperazin-1-ylpiperidin-1-yl) carbonate is sourced from PubChem (CID 69119896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).