tert-butyl N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]carbamate

C17H24Cl2N2O2 — CID 75480519

IUPACtert-butyl N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C17H24Cl2N2O2/c1-17(2,3)23-16(22)20-15-4-6-21(7-5-15)11-12-8-13(18)10-14(19)9-12/h8-10,15H,4-7,11H2,1-3H3,(H,20,22)
InChIKeyJUVAFXVAEPRQDM-UHFFFAOYSA-N
MW359.30 g/mol
LogP4.48
Rot. Bonds3

About tert-butyl N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]carbamate (PubChem CID 75480519) has the molecular formula C17H24Cl2N2O2 and a molecular weight of 359.30 g/mol. Its IUPAC name is tert-butyl N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]carbamate
PubChem CID75480519
Molecular FormulaC17H24Cl2N2O2
Molecular Weight359.30 g/mol
Exact Mass358.12
IUPAC Nametert-butyl N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C17H24Cl2N2O2/c1-17(2,3)23-16(22)20-15-4-6-21(7-5-15)11-12-8-13(18)10-14(19)9-12/h8-10,15H,4-7,11H2,1-3H3,(H,20,22)
InChIKeyJUVAFXVAEPRQDM-UHFFFAOYSA-N
XLogP4.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]carbamate
CID 22182435
tert-butyl N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 75993992
tert-butyl N-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 18426224
tert-butyl N-[1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]carbamate
CID 158272872
tert-butyl N-[1-[(2-bromo-4-pyridinyl)methyl]piperidin-4-yl]carbamate
CID 71632186
tert-butyl N-[1-[[4-[(E)-2-phenylethenyl]phenyl]methyl]piperidin-4-yl]carbamate
CID 129121860
tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119
(3,5-dichlorophenyl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
CID 86722683
tert-butyl N-[1-(isoquinolin-6-ylmethyl)piperidin-4-yl]carbamate
CID 58080855
tert-butyl N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 75994006
tert-butyl N-[1-[[4-(aminomethyl)phenyl]methyl]pyrrolidin-3-yl]carbamate
CID 175191930
tert-butyl N-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 21034112

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]carbamate (CID 75480519) is tert-butyl N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of tert-butyl N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]carbamate?
The InChIKey is JUVAFXVAEPRQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O2/c1-17(2,3)23-16(22)20-15-4-6-21(7-5-15)11-12-8-13(18)10-14(19)9-12/h8-10,15H,4-7,11H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]carbamate has a molecular weight of 359.30 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 75480519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).