benzyl 4-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylate

C19H29NO3 — CID 70855943

IUPACbenzyl 4-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylate
SMILESCC(CCO)C(C)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C19H29NO3/c1-15(10-13-21)16(2)18-8-11-20(12-9-18)19(22)23-14-17-6-4-3-5-7-17/h3-7,15-16,18,21H,8-14H2,1-2H3
InChIKeyKIXPUHVLULEFEY-UHFFFAOYSA-N
MW319.44 g/mol
LogP3.69
Rot. Bonds6

About benzyl 4-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylate

benzyl 4-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylate (PubChem CID 70855943) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is benzyl 4-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylate
PubChem CID70855943
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Namebenzyl 4-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylate
SMILESCC(CCO)C(C)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C19H29NO3/c1-15(10-13-21)16(2)18-8-11-20(12-9-18)19(22)23-14-17-6-4-3-5-7-17/h3-7,15-16,18,21H,8-14H2,1-2H3
InChIKeyKIXPUHVLULEFEY-UHFFFAOYSA-N
XLogP3.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4-[(1S)-1-(cyclopropylamino)-3-hydroxypropyl]piperidine-1-carboxylate
CID 97169782
benzyl 4-[(1S)-1-(chloroamino)ethyl]piperidine-1-carboxylate
CID 126554184
benzyl 4-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate
CID 97177469
benzyl (3R)-3-[(1S)-1-aminoethyl]pyrrolidine-1-carboxylate
CID 86674568
benzyl 4-(1-aminopropyl)piperidine-1-carboxylate
CID 154815286
benzyl 4-(diethoxymethyl)piperidine-1-carboxylate
CID 170639553
benzyl (3S)-3-[2-hydroxyethyl(propan-2-yl)amino]pyrrolidine-1-carboxylate
CID 66564312
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 3-(2-methylpropanoyloxy)piperidine-1-carboxylate
CID 174760460
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
benzyl 4-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 66569243

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylate (CID 70855943) is benzyl 4-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylate is CC(CCO)C(C)C1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylate?
The InChIKey is KIXPUHVLULEFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-15(10-13-21)16(2)18-8-11-20(12-9-18)19(22)23-14-17-6-4-3-5-7-17/h3-7,15-16,18,21H,8-14H2,1-2H3.
What are the key properties of benzyl 4-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylate?
benzyl 4-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylate has a molecular weight of 319.44 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 70855943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).