4-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperazine-1-carboxylic acid

C15H29N3O2 — CID 67216941

IUPAC4-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperazine-1-carboxylic acid
SMILESCN1C(C)(C)CC(N2CCN(C(=O)O)CC2)CC1(C)C
InChIInChI=1S/C15H29N3O2/c1-14(2)10-12(11-15(3,4)16(14)5)17-6-8-18(9-7-17)13(19)20/h12H,6-11H2,1-5H3,(H,19,20)
InChIKeyKPNZPWIHDCDQQO-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.93
Rot. Bonds1

About 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperazine-1-carboxylic acid

4-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperazine-1-carboxylic acid (PubChem CID 67216941) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperazine-1-carboxylic acid
PubChem CID67216941
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name4-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperazine-1-carboxylic acid
SMILESCN1C(C)(C)CC(N2CCN(C(=O)O)CC2)CC1(C)C
InChIInChI=1S/C15H29N3O2/c1-14(2)10-12(11-15(3,4)16(14)5)17-6-8-18(9-7-17)13(19)20/h12H,6-11H2,1-5H3,(H,19,20)
InChIKeyKPNZPWIHDCDQQO-UHFFFAOYSA-N
XLogP1.93
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-Dimethylethyl4-[4-(2-fluoroethyl)-1-piperazinyl]-1-piperidinecarboxylate
CID 86644806
2-Tert-butyl-4-[4-(2-fluoroethyl)piperazin-1-yl]piperidine-1-carboxylic acid
CID 86644807
2-Tert-butyl-4-[4-(2,2-difluoroethyl)piperazin-1-yl]piperidine-1-carboxylic acid
CID 87686889
4-(2-Tert-butyl-4-fluoropiperidin-1-yl)piperidine-1-carboxylic acid
CID 161292228
1-Azabicyclo[3.3.1]nonan-3-yl(methyl)carbamic acid
CID 19075558
4-(4-Methylpiperazin-1-yl)piperidine-1-carboxylic acid
CID 23153334
4-(1-Methylpiperidin-4-yl)piperazine-1-carboxylic acid
CID 23153469
(3R)-2-tert-butyl-3-(dimethylamino)piperidine-1-carboxylic acid
CID 66936033
4-(4-Ethylpiperazin-1-yl)piperidine-1-carboxylic acid
CID 67048622
Tert-butyl 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperazine-1-carboxylate
CID 67329073
2-[4-Butyl-4-(dimethylamino)piperidin-1-yl]ethyl-methylcarbamic acid
CID 67367572
[(3R,5R)-1-tert-butyl-5-methylpiperidin-3-yl]-methylcarbamic acid
CID 67413355

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperazine-1-carboxylic acid (CID 67216941) is 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperazine-1-carboxylic acid is CN1C(C)(C)CC(N2CCN(C(=O)O)CC2)CC1(C)C.
What is the InChIKey of 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperazine-1-carboxylic acid?
The InChIKey is KPNZPWIHDCDQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-14(2)10-12(11-15(3,4)16(14)5)17-6-8-18(9-7-17)13(19)20/h12H,6-11H2,1-5H3,(H,19,20).
What are the key properties of 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperazine-1-carboxylic acid?
4-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperazine-1-carboxylic acid has a molecular weight of 283.42 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,2,6,6-pentamethylpiperidin-4-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 67216941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).