4-[4-[(1S)-1-pyridin-3-ylethyl]piperazin-1-yl]quinoline

C20H22N4 — CID 124885067

IUPAC4-[4-[(1S)-1-pyridin-3-ylethyl]piperazin-1-yl]quinoline
SMILESC[C@@H](c1cccnc1)N1CCN(c2ccnc3ccccc23)CC1
InChIInChI=1S/C20H22N4/c1-16(17-5-4-9-21-15-17)23-11-13-24(14-12-23)20-8-10-22-19-7-3-2-6-18(19)20/h2-10,15-16H,11-14H2,1H3/t16-/m0/s1
InChIKeyBDBWOJFVZQKCPM-INIZCTEOSA-N
MW318.42 g/mol
LogP3.51
Rot. Bonds3

About 4-[4-[(1S)-1-pyridin-3-ylethyl]piperazin-1-yl]quinoline

4-[4-[(1S)-1-pyridin-3-ylethyl]piperazin-1-yl]quinoline (PubChem CID 124885067) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[4-[(1S)-1-pyridin-3-ylethyl]piperazin-1-yl]quinoline.

Molecular Properties

Compound Name4-[4-[(1S)-1-pyridin-3-ylethyl]piperazin-1-yl]quinoline
PubChem CID124885067
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name4-[4-[(1S)-1-pyridin-3-ylethyl]piperazin-1-yl]quinoline
SMILESC[C@@H](c1cccnc1)N1CCN(c2ccnc3ccccc23)CC1
InChIInChI=1S/C20H22N4/c1-16(17-5-4-9-21-15-17)23-11-13-24(14-12-23)20-8-10-22-19-7-3-2-6-18(19)20/h2-10,15-16H,11-14H2,1H3/t16-/m0/s1
InChIKeyBDBWOJFVZQKCPM-INIZCTEOSA-N
XLogP3.51
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1S)-1-pyridin-3-ylethyl]piperazin-1-yl]quinoline?
The IUPAC name of 4-[4-[(1S)-1-pyridin-3-ylethyl]piperazin-1-yl]quinoline (CID 124885067) is 4-[4-[(1S)-1-pyridin-3-ylethyl]piperazin-1-yl]quinoline.
What is the SMILES notation for 4-[4-[(1S)-1-pyridin-3-ylethyl]piperazin-1-yl]quinoline?
The canonical SMILES for 4-[4-[(1S)-1-pyridin-3-ylethyl]piperazin-1-yl]quinoline is C[C@@H](c1cccnc1)N1CCN(c2ccnc3ccccc23)CC1.
What is the InChIKey of 4-[4-[(1S)-1-pyridin-3-ylethyl]piperazin-1-yl]quinoline?
The InChIKey is BDBWOJFVZQKCPM-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22N4/c1-16(17-5-4-9-21-15-17)23-11-13-24(14-12-23)20-8-10-22-19-7-3-2-6-18(19)20/h2-10,15-16H,11-14H2,1H3/t16-/m0/s1.
What are the key properties of 4-[4-[(1S)-1-pyridin-3-ylethyl]piperazin-1-yl]quinoline?
4-[4-[(1S)-1-pyridin-3-ylethyl]piperazin-1-yl]quinoline has a molecular weight of 318.42 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1S)-1-pyridin-3-ylethyl]piperazin-1-yl]quinoline is sourced from PubChem (CID 124885067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).