tert-butyl N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]carbamate

C18H27ClN2O2 — CID 52820695

IUPACtert-butyl N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H27ClN2O2/c1-18(2,3)23-17(22)20-12-14-8-10-21(11-9-14)13-15-4-6-16(19)7-5-15/h4-7,14H,8-13H2,1-3H3,(H,20,22)
InChIKeyTVEYLYIJXLQIPV-UHFFFAOYSA-N
MW338.88 g/mol
LogP4.08
Rot. Bonds4

About tert-butyl N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]carbamate

tert-butyl N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]carbamate (PubChem CID 52820695) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is tert-butyl N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]carbamate
PubChem CID52820695
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Nametert-butyl N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H27ClN2O2/c1-18(2,3)23-17(22)20-12-14-8-10-21(11-9-14)13-15-4-6-16(19)7-5-15/h4-7,14H,8-13H2,1-3H3,(H,20,22)
InChIKeyTVEYLYIJXLQIPV-UHFFFAOYSA-N
XLogP4.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]carbamate (CID 52820695) is tert-butyl N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of tert-butyl N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]carbamate?
The InChIKey is TVEYLYIJXLQIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O2/c1-18(2,3)23-17(22)20-12-14-8-10-21(11-9-14)13-15-4-6-16(19)7-5-15/h4-7,14H,8-13H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]carbamate?
tert-butyl N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]carbamate has a molecular weight of 338.88 g/mol, XLogP of 4.08, 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-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 52820695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).