4-(1-methylpiperidin-4-yl)piperazine-1-carboxylic acid

C11H21N3O2 — CID 23153469

IUPAC4-(1-methylpiperidin-4-yl)piperazine-1-carboxylic acid
SMILESCN1CCC(N2CCN(C(=O)O)CC2)CC1
InChIInChI=1S/C11H21N3O2/c1-12-4-2-10(3-5-12)13-6-8-14(9-7-13)11(15)16/h10H,2-9H2,1H3,(H,15,16)
InChIKeyPEHRWJJJAGABAH-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.38
Rot. Bonds1

About 4-(1-methylpiperidin-4-yl)piperazine-1-carboxylic acid

4-(1-methylpiperidin-4-yl)piperazine-1-carboxylic acid (PubChem CID 23153469) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(1-methylpiperidin-4-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(1-methylpiperidin-4-yl)piperazine-1-carboxylic acid
PubChem CID23153469
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name4-(1-methylpiperidin-4-yl)piperazine-1-carboxylic acid
SMILESCN1CCC(N2CCN(C(=O)O)CC2)CC1
InChIInChI=1S/C11H21N3O2/c1-12-4-2-10(3-5-12)13-6-8-14(9-7-13)11(15)16/h10H,2-9H2,1H3,(H,15,16)
InChIKeyPEHRWJJJAGABAH-UHFFFAOYSA-N
XLogP0.38
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4'-Bipiperidine-1'-carboxylic acid
CID 11367848
Cambridge id 5453405
CID 783862
1-Piperazinecarboxaldehyde,4-(1-ethyl-4-piperidinyl)-(9CI)
CID 2846675
Cambridge id 5465194
CID 784581
Ethyl 4-[4-(2-hydroxyethyl)-1-piperazinyl]-1-piperidinecarboxylate
CID 2846651
4-(1-Tert-butyl-4-fluoropiperidin-1-ium-1-yl)piperidine-1-carboxylic acid
CID 67417688
(1-Ethylpiperidin-4-yl)-(1-fluorobutyl)carbamic acid
CID 68804194
1-Fluorobutyl-(1-propan-2-ylpiperidin-4-yl)carbamic acid
CID 68805505
4-(3,3-Difluoropiperidin-1-yl)piperidine-1-carboxylic acid
CID 118295041
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-(4,4-Difluoropiperidin-1-yl)piperidine-1-carboxylic acid
CID 149649405

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-4-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(1-methylpiperidin-4-yl)piperazine-1-carboxylic acid (CID 23153469) is 4-(1-methylpiperidin-4-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(1-methylpiperidin-4-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(1-methylpiperidin-4-yl)piperazine-1-carboxylic acid is CN1CCC(N2CCN(C(=O)O)CC2)CC1.
What is the InChIKey of 4-(1-methylpiperidin-4-yl)piperazine-1-carboxylic acid?
The InChIKey is PEHRWJJJAGABAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-12-4-2-10(3-5-12)13-6-8-14(9-7-13)11(15)16/h10H,2-9H2,1H3,(H,15,16).
What are the key properties of 4-(1-methylpiperidin-4-yl)piperazine-1-carboxylic acid?
4-(1-methylpiperidin-4-yl)piperazine-1-carboxylic acid has a molecular weight of 227.31 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-4-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 23153469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).