benzyl 4-piperidin-4-ylpiperazine-1-carboxylate

C17H25N3O2 — CID 57470863

IUPACbenzyl 4-piperidin-4-ylpiperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(C2CCNCC2)CC1
InChIInChI=1S/C17H25N3O2/c21-17(22-14-15-4-2-1-3-5-15)20-12-10-19(11-13-20)16-6-8-18-9-7-16/h1-5,16,18H,6-14H2
InChIKeyVGACRFNIXBHAHB-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.69
Rot. Bonds3

About benzyl 4-piperidin-4-ylpiperazine-1-carboxylate

benzyl 4-piperidin-4-ylpiperazine-1-carboxylate (PubChem CID 57470863) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is benzyl 4-piperidin-4-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-piperidin-4-ylpiperazine-1-carboxylate
PubChem CID57470863
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Namebenzyl 4-piperidin-4-ylpiperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(C2CCNCC2)CC1
InChIInChI=1S/C17H25N3O2/c21-17(22-14-15-4-2-1-3-5-15)20-12-10-19(11-13-20)16-6-8-18-9-7-16/h1-5,16,18H,6-14H2
InChIKeyVGACRFNIXBHAHB-UHFFFAOYSA-N
XLogP1.69
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-(4-aminocyclohexyl)piperazine-1-carboxylate
CID 70843461
benzyl 4-(piperidin-4-ylamino)piperidine-1-carboxylate
CID 170993979
benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl (4R)-4-pyrrolidin-1-ylazepane-1-carboxylate
CID 71192780
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(4-methoxypiperidin-1-yl)piperidine-1-carboxylate
CID 69040986
benzyl 4-(1,3-dioxolan-2-yl)piperidine-1-carboxylate;4-(1,3-dioxolan-2-yl)piperidine
CID 160872893
benzyl 4-[(3S)-3-aminopyrrolidin-1-yl]piperidine-1-carboxylate
CID 124666366
benzyl 4-(2-piperidin-4-ylethoxymethyl)piperidine-1-carboxylate
CID 166066135
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275

Frequently Asked Questions

What is the IUPAC name of benzyl 4-piperidin-4-ylpiperazine-1-carboxylate?
The IUPAC name of benzyl 4-piperidin-4-ylpiperazine-1-carboxylate (CID 57470863) is benzyl 4-piperidin-4-ylpiperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-piperidin-4-ylpiperazine-1-carboxylate?
The canonical SMILES for benzyl 4-piperidin-4-ylpiperazine-1-carboxylate is O=C(OCc1ccccc1)N1CCN(C2CCNCC2)CC1.
What is the InChIKey of benzyl 4-piperidin-4-ylpiperazine-1-carboxylate?
The InChIKey is VGACRFNIXBHAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-17(22-14-15-4-2-1-3-5-15)20-12-10-19(11-13-20)16-6-8-18-9-7-16/h1-5,16,18H,6-14H2.
What are the key properties of benzyl 4-piperidin-4-ylpiperazine-1-carboxylate?
benzyl 4-piperidin-4-ylpiperazine-1-carboxylate has a molecular weight of 303.41 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-piperidin-4-ylpiperazine-1-carboxylate is sourced from PubChem (CID 57470863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).