benzyl (3S)-3-[(2S)-2-naphthalen-1-ylpropyl]piperidine-1-carboxylate

C26H29NO2 — CID 58422854

IUPACbenzyl (3S)-3-[(2S)-2-naphthalen-1-ylpropyl]piperidine-1-carboxylate
SMILESC[C@@H](C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)c1cccc2ccccc12
InChIInChI=1S/C26H29NO2/c1-20(24-15-7-13-23-12-5-6-14-25(23)24)17-22-11-8-16-27(18-22)26(28)29-19-21-9-3-2-4-10-21/h2-7,9-10,12-15,20,22H,8,11,16-19H2,1H3/t20-,22-/m0/s1
InChIKeyYFAJOPPAJIJIHN-UNMCSNQZSA-N
MW387.52 g/mol
LogP6.38
Rot. Bonds5

About benzyl (3S)-3-[(2S)-2-naphthalen-1-ylpropyl]piperidine-1-carboxylate

benzyl (3S)-3-[(2S)-2-naphthalen-1-ylpropyl]piperidine-1-carboxylate (PubChem CID 58422854) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is benzyl (3S)-3-[(2S)-2-naphthalen-1-ylpropyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3S)-3-[(2S)-2-naphthalen-1-ylpropyl]piperidine-1-carboxylate
PubChem CID58422854
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Namebenzyl (3S)-3-[(2S)-2-naphthalen-1-ylpropyl]piperidine-1-carboxylate
SMILESC[C@@H](C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)c1cccc2ccccc12
InChIInChI=1S/C26H29NO2/c1-20(24-15-7-13-23-12-5-6-14-25(23)24)17-22-11-8-16-27(18-22)26(28)29-19-21-9-3-2-4-10-21/h2-7,9-10,12-15,20,22H,8,11,16-19H2,1H3/t20-,22-/m0/s1
InChIKeyYFAJOPPAJIJIHN-UNMCSNQZSA-N
XLogP6.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl 3-(bromomethyl)piperidine-1-carboxylate
CID 23000675
benzyl (3S)-3-(acetyloxymethyl)piperidine-1-carboxylate
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CID 174255821
benzyl 3-(ethenoxymethyl)piperidine-1-carboxylate
CID 118182040
benzyl (3R)-3-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate
CID 96552603
benzyl 3-methylpiperidine-1-carboxylate;ethane
CID 144599174
benzyl 3-[[2-aminoethyl(methyl)amino]methyl]piperidine-1-carboxylate
CID 66564337
benzyl 3-(2-methylpropanoyloxy)piperidine-1-carboxylate
CID 174760460
benzyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate
CID 177327268
(1-phenylmethoxycarbonylpiperidin-3-yl)methanesulfonic acid
CID 54551842
benzyl 3-[(trifluoromethylamino)methyl]piperidine-1-carboxylate
CID 71648887
benzyl (3R)-3-(3-chloropropyl)piperidine-1-carboxylate
CID 97166701

Frequently Asked Questions

What is the IUPAC name of benzyl (3S)-3-[(2S)-2-naphthalen-1-ylpropyl]piperidine-1-carboxylate?
The IUPAC name of benzyl (3S)-3-[(2S)-2-naphthalen-1-ylpropyl]piperidine-1-carboxylate (CID 58422854) is benzyl (3S)-3-[(2S)-2-naphthalen-1-ylpropyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl (3S)-3-[(2S)-2-naphthalen-1-ylpropyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl (3S)-3-[(2S)-2-naphthalen-1-ylpropyl]piperidine-1-carboxylate is C[C@@H](C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)c1cccc2ccccc12.
What is the InChIKey of benzyl (3S)-3-[(2S)-2-naphthalen-1-ylpropyl]piperidine-1-carboxylate?
The InChIKey is YFAJOPPAJIJIHN-UNMCSNQZSA-N. The full InChI is InChI=1S/C26H29NO2/c1-20(24-15-7-13-23-12-5-6-14-25(23)24)17-22-11-8-16-27(18-22)26(28)29-19-21-9-3-2-4-10-21/h2-7,9-10,12-15,20,22H,8,11,16-19H2,1H3/t20-,22-/m0/s1.
What are the key properties of benzyl (3S)-3-[(2S)-2-naphthalen-1-ylpropyl]piperidine-1-carboxylate?
benzyl (3S)-3-[(2S)-2-naphthalen-1-ylpropyl]piperidine-1-carboxylate has a molecular weight of 387.52 g/mol, XLogP of 6.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3S)-3-[(2S)-2-naphthalen-1-ylpropyl]piperidine-1-carboxylate is sourced from PubChem (CID 58422854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).