2-[4-[3-(3-hydroxynaphthalen-2-yl)propyl]piperazin-1-yl]acetic acid

C19H24N2O3 — CID 142669549

IUPAC2-[4-[3-(3-hydroxynaphthalen-2-yl)propyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(CCCc2cc3ccccc3cc2O)CC1
InChIInChI=1S/C19H24N2O3/c22-18-13-16-5-2-1-4-15(16)12-17(18)6-3-7-20-8-10-21(11-9-20)14-19(23)24/h1-2,4-5,12-13,22H,3,6-11,14H2,(H,23,24)
InChIKeyIIANTRXPCLMELZ-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.18
Rot. Bonds6

About 2-[4-[3-(3-hydroxynaphthalen-2-yl)propyl]piperazin-1-yl]acetic acid

2-[4-[3-(3-hydroxynaphthalen-2-yl)propyl]piperazin-1-yl]acetic acid (PubChem CID 142669549) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[4-[3-(3-hydroxynaphthalen-2-yl)propyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(3-hydroxynaphthalen-2-yl)propyl]piperazin-1-yl]acetic acid
PubChem CID142669549
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2-[4-[3-(3-hydroxynaphthalen-2-yl)propyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(CCCc2cc3ccccc3cc2O)CC1
InChIInChI=1S/C19H24N2O3/c22-18-13-16-5-2-1-4-15(16)12-17(18)6-3-7-20-8-10-21(11-9-20)14-19(23)24/h1-2,4-5,12-13,22H,3,6-11,14H2,(H,23,24)
InChIKeyIIANTRXPCLMELZ-UHFFFAOYSA-N
XLogP2.18
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3-hydroxynaphthalen-2-yl)propyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[3-(3-hydroxynaphthalen-2-yl)propyl]piperazin-1-yl]acetic acid (CID 142669549) is 2-[4-[3-(3-hydroxynaphthalen-2-yl)propyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(3-hydroxynaphthalen-2-yl)propyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(3-hydroxynaphthalen-2-yl)propyl]piperazin-1-yl]acetic acid is O=C(O)CN1CCN(CCCc2cc3ccccc3cc2O)CC1.
What is the InChIKey of 2-[4-[3-(3-hydroxynaphthalen-2-yl)propyl]piperazin-1-yl]acetic acid?
The InChIKey is IIANTRXPCLMELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c22-18-13-16-5-2-1-4-15(16)12-17(18)6-3-7-20-8-10-21(11-9-20)14-19(23)24/h1-2,4-5,12-13,22H,3,6-11,14H2,(H,23,24).
What are the key properties of 2-[4-[3-(3-hydroxynaphthalen-2-yl)propyl]piperazin-1-yl]acetic acid?
2-[4-[3-(3-hydroxynaphthalen-2-yl)propyl]piperazin-1-yl]acetic acid has a molecular weight of 328.41 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(3-hydroxynaphthalen-2-yl)propyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 142669549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).