benzyl 4-(3-aminocyclobutyl)piperidine-1-carboxylate

C17H24N2O2 — CID 166595522

IUPACbenzyl 4-(3-aminocyclobutyl)piperidine-1-carboxylate
SMILESNC1CC(C2CCN(C(=O)OCc3ccccc3)CC2)C1
InChIInChI=1S/C17H24N2O2/c18-16-10-15(11-16)14-6-8-19(9-7-14)17(20)21-12-13-4-2-1-3-5-13/h1-5,14-16H,6-12,18H2
InChIKeyBIBFLRKDLNXEFL-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.77
Rot. Bonds3

About benzyl 4-(3-aminocyclobutyl)piperidine-1-carboxylate

benzyl 4-(3-aminocyclobutyl)piperidine-1-carboxylate (PubChem CID 166595522) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is benzyl 4-(3-aminocyclobutyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(3-aminocyclobutyl)piperidine-1-carboxylate
PubChem CID166595522
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Namebenzyl 4-(3-aminocyclobutyl)piperidine-1-carboxylate
SMILESNC1CC(C2CCN(C(=O)OCc3ccccc3)CC2)C1
InChIInChI=1S/C17H24N2O2/c18-16-10-15(11-16)14-6-8-19(9-7-14)17(20)21-12-13-4-2-1-3-5-13/h1-5,14-16H,6-12,18H2
InChIKeyBIBFLRKDLNXEFL-UHFFFAOYSA-N
XLogP2.77
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4-(3-formylcyclobutyl)piperidine-1-carboxylate
CID 146316204
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl (4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 54127697
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl 4-(2-aminoethyl)piperidine-1-carboxylate
CID 22405759
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-(oxiran-2-yl)piperidine-1-carboxylate;ethane
CID 145307834
benzyl 4-(2-chloroethyl)piperidine-1-carboxylate
CID 71646574
benzyl 4-[(3S)-3-aminopyrrolidin-1-yl]piperidine-1-carboxylate
CID 124666366
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
benzyl 4-[(4-fluoroanilino)methyl]piperidine-1-carboxylate
CID 170459932

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(3-aminocyclobutyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(3-aminocyclobutyl)piperidine-1-carboxylate (CID 166595522) is benzyl 4-(3-aminocyclobutyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(3-aminocyclobutyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(3-aminocyclobutyl)piperidine-1-carboxylate is NC1CC(C2CCN(C(=O)OCc3ccccc3)CC2)C1.
What is the InChIKey of benzyl 4-(3-aminocyclobutyl)piperidine-1-carboxylate?
The InChIKey is BIBFLRKDLNXEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c18-16-10-15(11-16)14-6-8-19(9-7-14)17(20)21-12-13-4-2-1-3-5-13/h1-5,14-16H,6-12,18H2.
What are the key properties of benzyl 4-(3-aminocyclobutyl)piperidine-1-carboxylate?
benzyl 4-(3-aminocyclobutyl)piperidine-1-carboxylate has a molecular weight of 288.39 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(3-aminocyclobutyl)piperidine-1-carboxylate is sourced from PubChem (CID 166595522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).