[1-[2-[4-(dimethylamino)phenyl]ethyl]piperidin-4-yl]methylcarbamic acid

C17H27N3O2 — CID 68707772

IUPAC[1-[2-[4-(dimethylamino)phenyl]ethyl]piperidin-4-yl]methylcarbamic acid
SMILESCN(C)c1ccc(CCN2CCC(CNC(=O)O)CC2)cc1
InChIInChI=1S/C17H27N3O2/c1-19(2)16-5-3-14(4-6-16)7-10-20-11-8-15(9-12-20)13-18-17(21)22/h3-6,15,18H,7-13H2,1-2H3,(H,21,22)
InChIKeyUVSYEXFRSDIXLZ-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.27
Rot. Bonds6

About [1-[2-[4-(dimethylamino)phenyl]ethyl]piperidin-4-yl]methylcarbamic acid

[1-[2-[4-(dimethylamino)phenyl]ethyl]piperidin-4-yl]methylcarbamic acid (PubChem CID 68707772) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is [1-[2-[4-(dimethylamino)phenyl]ethyl]piperidin-4-yl]methylcarbamic acid.

Molecular Properties

Compound Name[1-[2-[4-(dimethylamino)phenyl]ethyl]piperidin-4-yl]methylcarbamic acid
PubChem CID68707772
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name[1-[2-[4-(dimethylamino)phenyl]ethyl]piperidin-4-yl]methylcarbamic acid
SMILESCN(C)c1ccc(CCN2CCC(CNC(=O)O)CC2)cc1
InChIInChI=1S/C17H27N3O2/c1-19(2)16-5-3-14(4-6-16)7-10-20-11-8-15(9-12-20)13-18-17(21)22/h3-6,15,18H,7-13H2,1-2H3,(H,21,22)
InChIKeyUVSYEXFRSDIXLZ-UHFFFAOYSA-N
XLogP2.27
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N'-(2,3-dimethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886973
2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 16895752
tert-butyl N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]carbamate
CID 171479743
N'-(4-ethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886959
4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-N,N-dimethylaniline
CID 54793610
N'-(3,4-dimethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886985
2-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide
CID 16895768
N'-cyclopentyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886913
2-[1-[3-(4-methoxyphenyl)propyl]piperidin-4-yl]ethylcarbamic acid
CID 68849802
1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one
CID 91066531
1-methyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride
CID 71462661
N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 16886993

Frequently Asked Questions

What is the IUPAC name of [1-[2-[4-(dimethylamino)phenyl]ethyl]piperidin-4-yl]methylcarbamic acid?
The IUPAC name of [1-[2-[4-(dimethylamino)phenyl]ethyl]piperidin-4-yl]methylcarbamic acid (CID 68707772) is [1-[2-[4-(dimethylamino)phenyl]ethyl]piperidin-4-yl]methylcarbamic acid.
What is the SMILES notation for [1-[2-[4-(dimethylamino)phenyl]ethyl]piperidin-4-yl]methylcarbamic acid?
The canonical SMILES for [1-[2-[4-(dimethylamino)phenyl]ethyl]piperidin-4-yl]methylcarbamic acid is CN(C)c1ccc(CCN2CCC(CNC(=O)O)CC2)cc1.
What is the InChIKey of [1-[2-[4-(dimethylamino)phenyl]ethyl]piperidin-4-yl]methylcarbamic acid?
The InChIKey is UVSYEXFRSDIXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-19(2)16-5-3-14(4-6-16)7-10-20-11-8-15(9-12-20)13-18-17(21)22/h3-6,15,18H,7-13H2,1-2H3,(H,21,22).
What are the key properties of [1-[2-[4-(dimethylamino)phenyl]ethyl]piperidin-4-yl]methylcarbamic acid?
[1-[2-[4-(dimethylamino)phenyl]ethyl]piperidin-4-yl]methylcarbamic acid has a molecular weight of 305.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[4-(dimethylamino)phenyl]ethyl]piperidin-4-yl]methylcarbamic acid is sourced from PubChem (CID 68707772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).