2-[4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid

C19H30N4O2 — CID 15839386

IUPAC2-[4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(N2CCN(CCNc3ccncc3)CC2)CC1
InChIInChI=1S/C19H30N4O2/c24-19(25)15-16-1-3-18(4-2-16)23-13-11-22(12-14-23)10-9-21-17-5-7-20-8-6-17/h5-8,16,18H,1-4,9-15H2,(H,20,21)(H,24,25)
InChIKeyBGMHVKNMVNZLSV-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.14
Rot. Bonds7

About 2-[4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid

2-[4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid (PubChem CID 15839386) has the molecular formula C19H30N4O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-[4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid
PubChem CID15839386
Molecular FormulaC19H30N4O2
Molecular Weight346.47 g/mol
Exact Mass346.24
IUPAC Name2-[4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(N2CCN(CCNc3ccncc3)CC2)CC1
InChIInChI=1S/C19H30N4O2/c24-19(25)15-16-1-3-18(4-2-16)23-13-11-22(12-14-23)10-9-21-17-5-7-20-8-6-17/h5-8,16,18H,1-4,9-15H2,(H,20,21)(H,24,25)
InChIKeyBGMHVKNMVNZLSV-UHFFFAOYSA-N
XLogP2.14
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid (CID 15839386) is 2-[4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid is O=C(O)CC1CCC(N2CCN(CCNc3ccncc3)CC2)CC1.
What is the InChIKey of 2-[4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid?
The InChIKey is BGMHVKNMVNZLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c24-19(25)15-16-1-3-18(4-2-16)23-13-11-22(12-14-23)10-9-21-17-5-7-20-8-6-17/h5-8,16,18H,1-4,9-15H2,(H,20,21)(H,24,25).
What are the key properties of 2-[4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid?
2-[4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid has a molecular weight of 346.47 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid is sourced from PubChem (CID 15839386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).