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

C15H31N3O2 — CID 67367572

IUPAC2-[4-butyl-4-(dimethylamino)piperidin-1-yl]ethyl-methylcarbamic acid
SMILESCCCCC1(N(C)C)CCN(CCN(C)C(=O)O)CC1
InChIInChI=1S/C15H31N3O2/c1-5-6-7-15(16(2)3)8-10-18(11-9-15)13-12-17(4)14(19)20/h5-13H2,1-4H3,(H,19,20)
InChIKeyHRWKHVPPICGFIC-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.18
Rot. Bonds7

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

2-[4-butyl-4-(dimethylamino)piperidin-1-yl]ethyl-methylcarbamic acid (PubChem CID 67367572) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-[4-butyl-4-(dimethylamino)piperidin-1-yl]ethyl-methylcarbamic acid.

Molecular Properties

Compound Name2-[4-butyl-4-(dimethylamino)piperidin-1-yl]ethyl-methylcarbamic acid
PubChem CID67367572
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name2-[4-butyl-4-(dimethylamino)piperidin-1-yl]ethyl-methylcarbamic acid
SMILESCCCCC1(N(C)C)CCN(CCN(C)C(=O)O)CC1
InChIInChI=1S/C15H31N3O2/c1-5-6-7-15(16(2)3)8-10-18(11-9-15)13-12-17(4)14(19)20/h5-13H2,1-4H3,(H,19,20)
InChIKeyHRWKHVPPICGFIC-UHFFFAOYSA-N
XLogP2.18
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Dimethylpiperidine-1-carboxylic acid
CID 89852041
4-(6,6,6-Trifluoro-2-methylhexan-2-yl)piperazine-1-carboxylic acid
CID 156118633
4-(2-Cyclohexylethyl)piperazine-1-carboxylic acid
CID 22047814
4-(Cyclohexylmethyl)piperazine-1-carboxylic acid
CID 22047999
4-[3-[Methyl(propyl)amino]propyl]piperidine-1-carboxylic acid
CID 22279431
2,2-Ditert-butylpiperazine-1,4-dicarboxylic acid
CID 53433188
2-(Aminomethyl)-2-tert-butylpiperidine-1-carboxylic acid
CID 53441269
(2R)-2-(aminomethyl)-2-tert-butylpiperidine-1-carboxylic acid
CID 66593969
(3R)-2-tert-butyl-3-(dimethylamino)piperidine-1-carboxylic acid
CID 66936033
(2S)-2-tert-butyl-4-methyl-2-propan-2-ylpiperazine-1-carboxylic acid
CID 66936266
Tert-butyl-[1-(cyclohexylmethyl)piperidin-4-yl]carbamic acid
CID 67212244
4-(1,2,2,6,6-Pentamethylpiperidin-4-yl)piperazine-1-carboxylic acid
CID 67216941

Frequently Asked Questions

What is the IUPAC name of 2-[4-butyl-4-(dimethylamino)piperidin-1-yl]ethyl-methylcarbamic acid?
The IUPAC name of 2-[4-butyl-4-(dimethylamino)piperidin-1-yl]ethyl-methylcarbamic acid (CID 67367572) is 2-[4-butyl-4-(dimethylamino)piperidin-1-yl]ethyl-methylcarbamic acid.
What is the SMILES notation for 2-[4-butyl-4-(dimethylamino)piperidin-1-yl]ethyl-methylcarbamic acid?
The canonical SMILES for 2-[4-butyl-4-(dimethylamino)piperidin-1-yl]ethyl-methylcarbamic acid is CCCCC1(N(C)C)CCN(CCN(C)C(=O)O)CC1.
What is the InChIKey of 2-[4-butyl-4-(dimethylamino)piperidin-1-yl]ethyl-methylcarbamic acid?
The InChIKey is HRWKHVPPICGFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-5-6-7-15(16(2)3)8-10-18(11-9-15)13-12-17(4)14(19)20/h5-13H2,1-4H3,(H,19,20).
What are the key properties of 2-[4-butyl-4-(dimethylamino)piperidin-1-yl]ethyl-methylcarbamic acid?
2-[4-butyl-4-(dimethylamino)piperidin-1-yl]ethyl-methylcarbamic acid has a molecular weight of 285.43 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-butyl-4-(dimethylamino)piperidin-1-yl]ethyl-methylcarbamic acid is sourced from PubChem (CID 67367572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).