benzyl 4-(4-methoxypiperidin-1-yl)piperidine-1-carboxylate

C19H28N2O3 — CID 69040986

IUPACbenzyl 4-(4-methoxypiperidin-1-yl)piperidine-1-carboxylate
SMILESCOC1CCN(C2CCN(C(=O)OCc3ccccc3)CC2)CC1
InChIInChI=1S/C19H28N2O3/c1-23-18-9-13-20(14-10-18)17-7-11-21(12-8-17)19(22)24-15-16-5-3-2-4-6-16/h2-6,17-18H,7-15H2,1H3
InChIKeyYBUIWEHZZLAJBS-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.90
Rot. Bonds4

About benzyl 4-(4-methoxypiperidin-1-yl)piperidine-1-carboxylate

benzyl 4-(4-methoxypiperidin-1-yl)piperidine-1-carboxylate (PubChem CID 69040986) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is benzyl 4-(4-methoxypiperidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(4-methoxypiperidin-1-yl)piperidine-1-carboxylate
PubChem CID69040986
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Namebenzyl 4-(4-methoxypiperidin-1-yl)piperidine-1-carboxylate
SMILESCOC1CCN(C2CCN(C(=O)OCc3ccccc3)CC2)CC1
InChIInChI=1S/C19H28N2O3/c1-23-18-9-13-20(14-10-18)17-7-11-21(12-8-17)19(22)24-15-16-5-3-2-4-6-16/h2-6,17-18H,7-15H2,1H3
InChIKeyYBUIWEHZZLAJBS-UHFFFAOYSA-N
XLogP2.90
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (4R)-4-pyrrolidin-1-ylazepane-1-carboxylate
CID 71192780
benzyl 4-[(3S)-3-aminopyrrolidin-1-yl]piperidine-1-carboxylate
CID 124666366
benzyl acetate;benzyl (3S)-3-methoxypyrrolidine-1-carboxylate;methoxycyclopentane;hydrochloride
CID 160916363
benzyl 4-[3-(4-hydroxypiperidin-1-yl)cyclobutyl]oxypiperidine-1-carboxylate
CID 166077458
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl (5S)-4-hydroxy-5-methoxyazepane-1-carboxylate
CID 118230308
benzyl 4-(4-aminocyclohexyl)piperazine-1-carboxylate
CID 70843461
benzyl 4-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]piperidine-1-carboxylate
CID 177301155
benzyl 4-piperidin-4-ylpiperazine-1-carboxylate
CID 57470863
tert-butyl 9-(1-phenylmethoxycarbonylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 166095550
benzyl 4-(diaminomethoxy)piperidine-1-carboxylate
CID 86651244

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(4-methoxypiperidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(4-methoxypiperidin-1-yl)piperidine-1-carboxylate (CID 69040986) is benzyl 4-(4-methoxypiperidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(4-methoxypiperidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(4-methoxypiperidin-1-yl)piperidine-1-carboxylate is COC1CCN(C2CCN(C(=O)OCc3ccccc3)CC2)CC1.
What is the InChIKey of benzyl 4-(4-methoxypiperidin-1-yl)piperidine-1-carboxylate?
The InChIKey is YBUIWEHZZLAJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-23-18-9-13-20(14-10-18)17-7-11-21(12-8-17)19(22)24-15-16-5-3-2-4-6-16/h2-6,17-18H,7-15H2,1H3.
What are the key properties of benzyl 4-(4-methoxypiperidin-1-yl)piperidine-1-carboxylate?
benzyl 4-(4-methoxypiperidin-1-yl)piperidine-1-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(4-methoxypiperidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 69040986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).