benzyl 4-(2-piperidin-4-ylethoxymethyl)piperidine-1-carboxylate

C21H32N2O3 — CID 166066135

IUPACbenzyl 4-(2-piperidin-4-ylethoxymethyl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(COCCC2CCNCC2)CC1
InChIInChI=1S/C21H32N2O3/c24-21(26-17-19-4-2-1-3-5-19)23-13-8-20(9-14-23)16-25-15-10-18-6-11-22-12-7-18/h1-5,18,20,22H,6-17H2
InChIKeyLEYRJTQWPJCPLZ-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.44
Rot. Bonds7

About benzyl 4-(2-piperidin-4-ylethoxymethyl)piperidine-1-carboxylate

benzyl 4-(2-piperidin-4-ylethoxymethyl)piperidine-1-carboxylate (PubChem CID 166066135) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is benzyl 4-(2-piperidin-4-ylethoxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(2-piperidin-4-ylethoxymethyl)piperidine-1-carboxylate
PubChem CID166066135
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Namebenzyl 4-(2-piperidin-4-ylethoxymethyl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(COCCC2CCNCC2)CC1
InChIInChI=1S/C21H32N2O3/c24-21(26-17-19-4-2-1-3-5-19)23-13-8-20(9-14-23)16-25-15-10-18-6-11-22-12-7-18/h1-5,18,20,22H,6-17H2
InChIKeyLEYRJTQWPJCPLZ-UHFFFAOYSA-N
XLogP3.44
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(1-phenylmethoxycarbonylpiperidin-4-yl)methoxy]ethyliminoazanide
CID 165383584
benzyl 4-[(1R,2S)-2-[2-[(1-ethylsulfonylpiperidin-4-yl)methoxy]ethyl]cyclopropyl]piperidine-1-carboxylate;1-ethylsulfonyl-4-[2-[(1S,2R)-2-piperidin-4-ylcyclopropyl]ethoxymethyl]piperidine;methane
CID 161186290
benzyl 4-(2-aminoethyl)piperidine-1-carboxylate
CID 22405759
benzyl 4-(2-chloroethyl)piperidine-1-carboxylate
CID 71646574
benzyl 4-(piperidin-4-ylamino)piperidine-1-carboxylate
CID 170993979
benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
benzyl 4-(1,3-dioxolan-2-yl)piperidine-1-carboxylate;4-(1,3-dioxolan-2-yl)piperidine
CID 160872893
benzyl 4-piperidin-4-ylpiperazine-1-carboxylate
CID 57470863
benzyl 4-(3-oxo-3-phenylpropyl)piperidine-1-carboxylate
CID 18187454
benzyl 4-(3-hydrazinyl-3-oxopropyl)piperidine-1-carboxylate
CID 11335745
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(5-bromopentyl)piperidine-1-carboxylate
CID 58306239

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(2-piperidin-4-ylethoxymethyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(2-piperidin-4-ylethoxymethyl)piperidine-1-carboxylate (CID 166066135) is benzyl 4-(2-piperidin-4-ylethoxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(2-piperidin-4-ylethoxymethyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(2-piperidin-4-ylethoxymethyl)piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(COCCC2CCNCC2)CC1.
What is the InChIKey of benzyl 4-(2-piperidin-4-ylethoxymethyl)piperidine-1-carboxylate?
The InChIKey is LEYRJTQWPJCPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c24-21(26-17-19-4-2-1-3-5-19)23-13-8-20(9-14-23)16-25-15-10-18-6-11-22-12-7-18/h1-5,18,20,22H,6-17H2.
What are the key properties of benzyl 4-(2-piperidin-4-ylethoxymethyl)piperidine-1-carboxylate?
benzyl 4-(2-piperidin-4-ylethoxymethyl)piperidine-1-carboxylate has a molecular weight of 360.50 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(2-piperidin-4-ylethoxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 166066135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).