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

C19H30N4O3 — CID 15839389

IUPAC2-[1-hydroxy-4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(O)CCC(N2CCN(CCNc3ccncc3)CC2)CC1
InChIInChI=1S/C19H30N4O3/c24-18(25)15-19(26)5-1-17(2-6-19)23-13-11-22(12-14-23)10-9-21-16-3-7-20-8-4-16/h3-4,7-8,17,26H,1-2,5-6,9-15H2,(H,20,21)(H,24,25)
InChIKeyITRNHPNQNZDGPA-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.26
Rot. Bonds7

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

2-[1-hydroxy-4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid (PubChem CID 15839389) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-[1-hydroxy-4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-hydroxy-4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid
PubChem CID15839389
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name2-[1-hydroxy-4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(O)CCC(N2CCN(CCNc3ccncc3)CC2)CC1
InChIInChI=1S/C19H30N4O3/c24-18(25)15-19(26)5-1-17(2-6-19)23-13-11-22(12-14-23)10-9-21-16-3-7-20-8-4-16/h3-4,7-8,17,26H,1-2,5-6,9-15H2,(H,20,21)(H,24,25)
InChIKeyITRNHPNQNZDGPA-UHFFFAOYSA-N
XLogP1.26
TPSA88.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-hydroxy-4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-hydroxy-4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid (CID 15839389) is 2-[1-hydroxy-4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-hydroxy-4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-hydroxy-4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid is O=C(O)CC1(O)CCC(N2CCN(CCNc3ccncc3)CC2)CC1.
What is the InChIKey of 2-[1-hydroxy-4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid?
The InChIKey is ITRNHPNQNZDGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c24-18(25)15-19(26)5-1-17(2-6-19)23-13-11-22(12-14-23)10-9-21-16-3-7-20-8-4-16/h3-4,7-8,17,26H,1-2,5-6,9-15H2,(H,20,21)(H,24,25).
What are the key properties of 2-[1-hydroxy-4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid?
2-[1-hydroxy-4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid has a molecular weight of 362.47 g/mol, XLogP of 1.26, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydroxy-4-[4-[2-(pyridin-4-ylamino)ethyl]piperazin-1-yl]cyclohexyl]acetic acid is sourced from PubChem (CID 15839389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).