tert-butyl N-[[1-(1-phenylethyl)piperidin-2-yl]methyl]carbamate

C19H30N2O2 — CID 123993971

IUPACtert-butyl N-[[1-(1-phenylethyl)piperidin-2-yl]methyl]carbamate
SMILESCC(c1ccccc1)N1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C19H30N2O2/c1-15(16-10-6-5-7-11-16)21-13-9-8-12-17(21)14-20-18(22)23-19(2,3)4/h5-7,10-11,15,17H,8-9,12-14H2,1-4H3,(H,20,22)
InChIKeyRKJLPKVGFCHBHP-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.13
Rot. Bonds4

About tert-butyl N-[[1-(1-phenylethyl)piperidin-2-yl]methyl]carbamate

tert-butyl N-[[1-(1-phenylethyl)piperidin-2-yl]methyl]carbamate (PubChem CID 123993971) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl N-[[1-(1-phenylethyl)piperidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(1-phenylethyl)piperidin-2-yl]methyl]carbamate
PubChem CID123993971
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl N-[[1-(1-phenylethyl)piperidin-2-yl]methyl]carbamate
SMILESCC(c1ccccc1)N1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C19H30N2O2/c1-15(16-10-6-5-7-11-16)21-13-9-8-12-17(21)14-20-18(22)23-19(2,3)4/h5-7,10-11,15,17H,8-9,12-14H2,1-4H3,(H,20,22)
InChIKeyRKJLPKVGFCHBHP-UHFFFAOYSA-N
XLogP4.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[1-(2-hydroxy-1-phenylethyl)piperidin-2-yl]methyl]carbamate
CID 23450123
tert-butyl N-[[(2S)-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-yl]methyl]carbamate
CID 59571671
tert-butyl N-[[(2R)-1-[(1S)-1-thiophen-2-ylethyl]piperidin-2-yl]methyl]carbamate
CID 97175621
tert-butyl N-[[(2R)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-2-yl]methyl]carbamate
CID 97175606
tert-butyl N-[[(2S)-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-2-yl]methyl]carbamate
CID 129460547
[(2R)-1-(1-phenylethyl)piperidin-2-yl]methanol
CID 139769246
1-[1-(1-phenylethyl)piperidin-2-yl]propan-2-ol
CID 114338177
tert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 62196160
tert-butyl N-[[1-(3-methoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate
CID 71648495
[1-(1-phenylethyl)azepan-2-yl]methanamine
CID 116640530
2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid
CID 96553784
tert-butyl N-[[(2S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate
CID 97177741

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(1-phenylethyl)piperidin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-(1-phenylethyl)piperidin-2-yl]methyl]carbamate (CID 123993971) is tert-butyl N-[[1-(1-phenylethyl)piperidin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-(1-phenylethyl)piperidin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-(1-phenylethyl)piperidin-2-yl]methyl]carbamate is CC(c1ccccc1)N1CCCCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[1-(1-phenylethyl)piperidin-2-yl]methyl]carbamate?
The InChIKey is RKJLPKVGFCHBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-15(16-10-6-5-7-11-16)21-13-9-8-12-17(21)14-20-18(22)23-19(2,3)4/h5-7,10-11,15,17H,8-9,12-14H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[[1-(1-phenylethyl)piperidin-2-yl]methyl]carbamate?
tert-butyl N-[[1-(1-phenylethyl)piperidin-2-yl]methyl]carbamate has a molecular weight of 318.46 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(1-phenylethyl)piperidin-2-yl]methyl]carbamate is sourced from PubChem (CID 123993971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).