benzyl 4-[(1-hydroxycyclopropyl)methoxy]piperidine-1-carboxylate

C17H23NO4 — CID 129278212

IUPACbenzyl 4-[(1-hydroxycyclopropyl)methoxy]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(OCC2(O)CC2)CC1
InChIInChI=1S/C17H23NO4/c19-16(21-12-14-4-2-1-3-5-14)18-10-6-15(7-11-18)22-13-17(20)8-9-17/h1-5,15,20H,6-13H2
InChIKeyXGSMVPMITDBXJL-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.33
Rot. Bonds5

About benzyl 4-[(1-hydroxycyclopropyl)methoxy]piperidine-1-carboxylate

benzyl 4-[(1-hydroxycyclopropyl)methoxy]piperidine-1-carboxylate (PubChem CID 129278212) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is benzyl 4-[(1-hydroxycyclopropyl)methoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(1-hydroxycyclopropyl)methoxy]piperidine-1-carboxylate
PubChem CID129278212
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Namebenzyl 4-[(1-hydroxycyclopropyl)methoxy]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(OCC2(O)CC2)CC1
InChIInChI=1S/C17H23NO4/c19-16(21-12-14-4-2-1-3-5-14)18-10-6-15(7-11-18)22-13-17(20)8-9-17/h1-5,15,20H,6-13H2
InChIKeyXGSMVPMITDBXJL-UHFFFAOYSA-N
XLogP2.33
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(diaminomethoxy)piperidine-1-carboxylate
CID 86651244
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl 4-(difluoromethoxy)piperidine-1-carboxylate
CID 67527865
benzyl 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]piperidine-1-carboxylate
CID 68919124
benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane
CID 143991995
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-hydroxy-4-(2-methylpropyl)piperidine-1-carboxylate
CID 134164536
benzyl (3R)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
CID 129379459
benzyl 4-[2-(oxan-2-yloxy)ethoxy]piperidine-1-carboxylate
CID 58495700
4-[3-(1-phenylmethoxycarbonylpiperidin-4-yl)oxypropyl]piperazine-1-carboxylic acid
CID 174208820

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(1-hydroxycyclopropyl)methoxy]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[(1-hydroxycyclopropyl)methoxy]piperidine-1-carboxylate (CID 129278212) is benzyl 4-[(1-hydroxycyclopropyl)methoxy]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(1-hydroxycyclopropyl)methoxy]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[(1-hydroxycyclopropyl)methoxy]piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(OCC2(O)CC2)CC1.
What is the InChIKey of benzyl 4-[(1-hydroxycyclopropyl)methoxy]piperidine-1-carboxylate?
The InChIKey is XGSMVPMITDBXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c19-16(21-12-14-4-2-1-3-5-14)18-10-6-15(7-11-18)22-13-17(20)8-9-17/h1-5,15,20H,6-13H2.
What are the key properties of benzyl 4-[(1-hydroxycyclopropyl)methoxy]piperidine-1-carboxylate?
benzyl 4-[(1-hydroxycyclopropyl)methoxy]piperidine-1-carboxylate has a molecular weight of 305.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(1-hydroxycyclopropyl)methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 129278212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).