tert-butyl N-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]carbamate

C19H30N2O2 — CID 53328337

IUPACtert-butyl N-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]carbamate
SMILESCc1ccc(CCN2CCC(NC(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H30N2O2/c1-15-5-7-16(8-6-15)9-12-21-13-10-17(11-14-21)20-18(22)23-19(2,3)4/h5-8,17H,9-14H2,1-4H3,(H,20,22)
InChIKeyQWZUIGMAJXWKGE-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.53
Rot. Bonds4

About tert-butyl N-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]carbamate (PubChem CID 53328337) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]carbamate
PubChem CID53328337
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl N-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]carbamate
SMILESCc1ccc(CCN2CCC(NC(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H30N2O2/c1-15-5-7-16(8-6-15)9-12-21-13-10-17(11-14-21)20-18(22)23-19(2,3)4/h5-8,17H,9-14H2,1-4H3,(H,20,22)
InChIKeyQWZUIGMAJXWKGE-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 75994006
tert-butyl N-[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-4-yl]carbamate
CID 56771205
tert-butyl N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-4-yl]carbamate
CID 71987002
2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 156865833
tert-butyl N-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]carbamate
CID 111487928
tert-butyl N-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]carbamate
CID 59989100
tert-butyl N-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 18426224
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethylcarbamic acid
CID 90951819
2-[4-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]phenyl]acetic acid
CID 145346235
tert-butyl N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 21034112
tert-butyl N-[1-[[4-(aminomethyl)phenyl]methyl]pyrrolidin-3-yl]carbamate
CID 175191930
tert-butyl N-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]carbamate
CID 107237024

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]carbamate (CID 53328337) is tert-butyl N-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]carbamate is Cc1ccc(CCN2CCC(NC(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl N-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]carbamate?
The InChIKey is QWZUIGMAJXWKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-15-5-7-16(8-6-15)9-12-21-13-10-17(11-14-21)20-18(22)23-19(2,3)4/h5-8,17H,9-14H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]carbamate has a molecular weight of 318.46 g/mol, XLogP of 3.53, 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-[2-(4-methylphenyl)ethyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 53328337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).