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

C18H27N2O3- — CID 86740910

IUPACN-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]carbamate
SMILESCOc1ccc(CN2CCC(N(C(=O)[O-])C(C)(C)C)CC2)cc1
InChIInChI=1S/C18H28N2O3/c1-18(2,3)20(17(21)22)15-9-11-19(12-10-15)13-14-5-7-16(23-4)8-6-14/h5-8,15H,9-13H2,1-4H3,(H,21,22)/p-1
InChIKeyJKYVVAINDRZMIM-UHFFFAOYSA-M
MW319.43 g/mol
LogP2.10
Rot. Bonds4

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

N-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]carbamate (PubChem CID 86740910) has the molecular formula C18H27N2O3- and a molecular weight of 319.43 g/mol. Its IUPAC name is N-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound NameN-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]carbamate
PubChem CID86740910
Molecular FormulaC18H27N2O3-
Molecular Weight319.43 g/mol
Exact Mass319.20
IUPAC NameN-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]carbamate
SMILESCOc1ccc(CN2CCC(N(C(=O)[O-])C(C)(C)C)CC2)cc1
InChIInChI=1S/C18H28N2O3/c1-18(2,3)20(17(21)22)15-9-11-19(12-10-15)13-14-5-7-16(23-4)8-6-14/h5-8,15H,9-13H2,1-4H3,(H,21,22)/p-1
InChIKeyJKYVVAINDRZMIM-UHFFFAOYSA-M
XLogP2.10
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoate
CID 83983363
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 10562587
N-benzyl-1-[(4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid
CID 2910855
1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidine-4-carboxamide
CID 75504045
(4-ethylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 3409585
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 23381464
(2S)-2-hydroxy-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 129489219
cyclohexyl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398878
N-(4-methoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]propanamide
CID 42853290
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110398874
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
CID 15044920
2-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide
CID 42853361

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]carbamate?
The IUPAC name of N-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]carbamate (CID 86740910) is N-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]carbamate.
What is the SMILES notation for N-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]carbamate?
The canonical SMILES for N-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]carbamate is COc1ccc(CN2CCC(N(C(=O)[O-])C(C)(C)C)CC2)cc1.
What is the InChIKey of N-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]carbamate?
The InChIKey is JKYVVAINDRZMIM-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H28N2O3/c1-18(2,3)20(17(21)22)15-9-11-19(12-10-15)13-14-5-7-16(23-4)8-6-14/h5-8,15H,9-13H2,1-4H3,(H,21,22)/p-1.
What are the key properties of N-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]carbamate?
N-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]carbamate has a molecular weight of 319.43 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 86740910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).