4-(1-tert-butylpiperidin-4-yl)piperazine-1-carboxylic acid

C14H27N3O2 — CID 69056445

IUPAC4-(1-tert-butylpiperidin-4-yl)piperazine-1-carboxylic acid
SMILESCC(C)(C)N1CCC(N2CCN(C(=O)O)CC2)CC1
InChIInChI=1S/C14H27N3O2/c1-14(2,3)17-6-4-12(5-7-17)15-8-10-16(11-9-15)13(18)19/h12H,4-11H2,1-3H3,(H,18,19)
InChIKeyFUXJTFAOCDLTFC-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.54
Rot. Bonds1

About 4-(1-tert-butylpiperidin-4-yl)piperazine-1-carboxylic acid

4-(1-tert-butylpiperidin-4-yl)piperazine-1-carboxylic acid (PubChem CID 69056445) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-(1-tert-butylpiperidin-4-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(1-tert-butylpiperidin-4-yl)piperazine-1-carboxylic acid
PubChem CID69056445
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name4-(1-tert-butylpiperidin-4-yl)piperazine-1-carboxylic acid
SMILESCC(C)(C)N1CCC(N2CCN(C(=O)O)CC2)CC1
InChIInChI=1S/C14H27N3O2/c1-14(2,3)17-6-4-12(5-7-17)15-8-10-16(11-9-15)13(18)19/h12H,4-11H2,1-3H3,(H,18,19)
InChIKeyFUXJTFAOCDLTFC-UHFFFAOYSA-N
XLogP1.54
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4'-Bipiperidine-1'-carboxylic acid
CID 11367848
tert-Butyl 4-(4-methylpiperazin-1-yl)piperidine-1-carboxylate
CID 18630813
4-(1-Tert-butyl-4-fluoropiperidin-1-ium-1-yl)piperidine-1-carboxylate
CID 67417687
4-(1-Tert-butyl-4-fluoropiperidin-1-ium-1-yl)piperidine-1-carboxylic acid
CID 67417688
Tert-butyl-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]carbamic acid
CID 118381279
Tert-butyl-[1-(2-fluoroethyl)piperidin-4-yl]carbamic acid
CID 118381558
Tert-butyl-[1-(1-cyclopropylpiperidin-4-yl)-3-fluoropiperidin-4-yl]carbamic acid
CID 118454530
4-[4-(2-Fluoroethyl)piperazin-1-yl]piperidine-1-carboxylic acid
CID 123782749
(3S)-3-(4-fluoropiperidin-1-yl)piperidine-1-carboxylic acid
CID 137500258
4-(4-Fluoropiperidin-1-yl)piperidine-1-carboxylic acid
CID 152021741
3-(4-Fluoropiperidin-1-yl)piperidine-1-carboxylic acid
CID 175508690
3-Fluoro-4-piperidin-1-ylpiperidine-1-carboxylic acid
CID 176180968

Frequently Asked Questions

What is the IUPAC name of 4-(1-tert-butylpiperidin-4-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(1-tert-butylpiperidin-4-yl)piperazine-1-carboxylic acid (CID 69056445) is 4-(1-tert-butylpiperidin-4-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(1-tert-butylpiperidin-4-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(1-tert-butylpiperidin-4-yl)piperazine-1-carboxylic acid is CC(C)(C)N1CCC(N2CCN(C(=O)O)CC2)CC1.
What is the InChIKey of 4-(1-tert-butylpiperidin-4-yl)piperazine-1-carboxylic acid?
The InChIKey is FUXJTFAOCDLTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-14(2,3)17-6-4-12(5-7-17)15-8-10-16(11-9-15)13(18)19/h12H,4-11H2,1-3H3,(H,18,19).
What are the key properties of 4-(1-tert-butylpiperidin-4-yl)piperazine-1-carboxylic acid?
4-(1-tert-butylpiperidin-4-yl)piperazine-1-carboxylic acid has a molecular weight of 269.39 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tert-butylpiperidin-4-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 69056445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).