tert-butyl 4-(2-phenylpiperidin-1-yl)piperidine-1-carboxylate

C21H32N2O2 — CID 10759909

IUPACtert-butyl 4-(2-phenylpiperidin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CCCCC2c2ccccc2)CC1
InChIInChI=1S/C21H32N2O2/c1-21(2,3)25-20(24)22-15-12-18(13-16-22)23-14-8-7-11-19(23)17-9-5-4-6-10-17/h4-6,9-10,18-19H,7-8,11-16H2,1-3H3
InChIKeyFWQQQLHNJZOCJR-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.61
Rot. Bonds2

About tert-butyl 4-(2-phenylpiperidin-1-yl)piperidine-1-carboxylate

tert-butyl 4-(2-phenylpiperidin-1-yl)piperidine-1-carboxylate (PubChem CID 10759909) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is tert-butyl 4-(2-phenylpiperidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-phenylpiperidin-1-yl)piperidine-1-carboxylate
PubChem CID10759909
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Nametert-butyl 4-(2-phenylpiperidin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CCCCC2c2ccccc2)CC1
InChIInChI=1S/C21H32N2O2/c1-21(2,3)25-20(24)22-15-12-18(13-16-22)23-14-8-7-11-19(23)17-9-5-4-6-10-17/h4-6,9-10,18-19H,7-8,11-16H2,1-3H3
InChIKeyFWQQQLHNJZOCJR-UHFFFAOYSA-N
XLogP4.61
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperidine-2-carboxylic acid
CID 86615162
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
tert-butyl 4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]piperidine-1-carboxylate
CID 30665594
tert-butyl 4-(4-methyl-3-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110610516
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 2755963
tert-butyl (3R,4S)-3,4-diphenylpiperidine-1-carboxylate
CID 101207420
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
tert-butyl 4-(N-benzylanilino)piperidine-1-carboxylate
CID 118798320
tert-butyl 4-[3-[(2S)-1-methoxypropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidine-1-carboxylate
CID 69494076
aniline;tert-butyl piperidine-1-carboxylate
CID 142463276
tert-butyl 3-(3-phenylazepane-1-carbonyl)piperidine-1-carboxylate
CID 121146182
tert-butyl 4-[2-(2-methyltetrazol-5-yl)pyrrolidin-1-yl]piperidine-1-carboxylate
CID 135144922

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-phenylpiperidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-phenylpiperidin-1-yl)piperidine-1-carboxylate (CID 10759909) is tert-butyl 4-(2-phenylpiperidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-phenylpiperidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-phenylpiperidin-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N2CCCCC2c2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-(2-phenylpiperidin-1-yl)piperidine-1-carboxylate?
The InChIKey is FWQQQLHNJZOCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-21(2,3)25-20(24)22-15-12-18(13-16-22)23-14-8-7-11-19(23)17-9-5-4-6-10-17/h4-6,9-10,18-19H,7-8,11-16H2,1-3H3.
What are the key properties of tert-butyl 4-(2-phenylpiperidin-1-yl)piperidine-1-carboxylate?
tert-butyl 4-(2-phenylpiperidin-1-yl)piperidine-1-carboxylate has a molecular weight of 344.50 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-phenylpiperidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 10759909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).