tert-butyl 4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carboxylate

C19H29NO3 — CID 135323439

IUPACtert-butyl 4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CO)(CCc2ccccc2)CC1
InChIInChI=1S/C19H29NO3/c1-18(2,3)23-17(22)20-13-11-19(15-21,12-14-20)10-9-16-7-5-4-6-8-16/h4-8,21H,9-15H2,1-3H3
InChIKeySUSIPTVRQQCXSS-UHFFFAOYSA-N
MW319.44 g/mol
LogP3.63
Rot. Bonds4

About tert-butyl 4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carboxylate

tert-butyl 4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carboxylate (PubChem CID 135323439) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is tert-butyl 4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carboxylate
PubChem CID135323439
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Nametert-butyl 4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CO)(CCc2ccccc2)CC1
InChIInChI=1S/C19H29NO3/c1-18(2,3)23-17(22)20-13-11-19(15-21,12-14-20)10-9-16-7-5-4-6-8-16/h4-8,21H,9-15H2,1-3H3
InChIKeySUSIPTVRQQCXSS-UHFFFAOYSA-N
XLogP3.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-benzyl-4-(hydroxymethyl)piperidine-1-carboxylate
CID 20664723
tert-butyl 4-[(2-aminoanilino)methyl]-4-(2-phenylethyl)piperidine-1-carboxylate
CID 122417502
tert-butyl 4-benzyl-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
CID 143220733
tert-butyl 4-benzyl-4-methoxypiperidine-1-carboxylate
CID 22730796
tert-butyl 4-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxylate
CID 59367830
tert-butyl 4-(benzylamino)-4-(hydroxymethyl)piperidine-1-carboxylate
CID 146249261
tert-butyl 4-benzyl-4-(dimethylamino)piperidine-1-carboxylate
CID 170993454
tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
CID 58041388
tert-butyl 4-(aminomethyl)-4-(hydroxymethyl)piperidine-1-carboxylate;hydrochloride
CID 146082065
1-O-tert-butyl 4-O-methyl 4-benzylpiperidine-1,4-dicarboxylate
CID 20664732
tert-butyl 4-aminopiperidine-1-carboxylate;2-phenylethanol
CID 142239984
tert-butyl 4-(2-benzylsulfonylethyl)-4-hydroxypiperidine-1-carboxylate
CID 171480544

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carboxylate (CID 135323439) is tert-butyl 4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CO)(CCc2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carboxylate?
The InChIKey is SUSIPTVRQQCXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-18(2,3)23-17(22)20-13-11-19(15-21,12-14-20)10-9-16-7-5-4-6-8-16/h4-8,21H,9-15H2,1-3H3.
What are the key properties of tert-butyl 4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carboxylate?
tert-butyl 4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carboxylate has a molecular weight of 319.44 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carboxylate is sourced from PubChem (CID 135323439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).