benzyl 4-(1-aminopropyl)piperidine-1-carboxylate

C16H24N2O2 — CID 154815286

IUPACbenzyl 4-(1-aminopropyl)piperidine-1-carboxylate
SMILESCCC(N)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-2-15(17)14-8-10-18(11-9-14)16(19)20-12-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12,17H2,1H3
InChIKeyBDAFWSGIQAIWHP-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.77
Rot. Bonds4

About benzyl 4-(1-aminopropyl)piperidine-1-carboxylate

benzyl 4-(1-aminopropyl)piperidine-1-carboxylate (PubChem CID 154815286) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is benzyl 4-(1-aminopropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(1-aminopropyl)piperidine-1-carboxylate
PubChem CID154815286
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namebenzyl 4-(1-aminopropyl)piperidine-1-carboxylate
SMILESCCC(N)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-2-15(17)14-8-10-18(11-9-14)16(19)20-12-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12,17H2,1H3
InChIKeyBDAFWSGIQAIWHP-UHFFFAOYSA-N
XLogP2.77
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4-(diethoxymethyl)piperidine-1-carboxylate
CID 170639553
benzyl (3R)-3-[(1S)-1-aminoethyl]pyrrolidine-1-carboxylate
CID 86674568
benzyl 4-[(1S)-1-(chloroamino)ethyl]piperidine-1-carboxylate
CID 126554184
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylate
CID 70855943
benzyl 4-[(2R)-2-amino-3-methoxy-3-oxopropyl]piperidine-1-carboxylate
CID 155904176
benzyl 4-(diaminomethoxy)piperidine-1-carboxylate
CID 86651244
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-[(1R)-1-hydroxy-3-methoxy-3-oxopropyl]piperidine-1-carboxylate
CID 97168111
benzyl 4-(1-hydroxy-3-methoxy-3-oxopropyl)piperidine-1-carboxylate
CID 71648259
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl 4-[[(2S)-2-aminopropanoyl]amino]piperidine-1-carboxylate
CID 66564858

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(1-aminopropyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(1-aminopropyl)piperidine-1-carboxylate (CID 154815286) is benzyl 4-(1-aminopropyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(1-aminopropyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(1-aminopropyl)piperidine-1-carboxylate is CCC(N)C1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-(1-aminopropyl)piperidine-1-carboxylate?
The InChIKey is BDAFWSGIQAIWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-15(17)14-8-10-18(11-9-14)16(19)20-12-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12,17H2,1H3.
What are the key properties of benzyl 4-(1-aminopropyl)piperidine-1-carboxylate?
benzyl 4-(1-aminopropyl)piperidine-1-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(1-aminopropyl)piperidine-1-carboxylate is sourced from PubChem (CID 154815286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).