2-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]piperidin-4-yl]oxyethanol

C16H27N3O2 — CID 82015575

IUPAC2-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]piperidin-4-yl]oxyethanol
SMILESCCNC(C)c1ccc(N2CCC(OCCO)CC2)nc1
InChIInChI=1S/C16H27N3O2/c1-3-17-13(2)14-4-5-16(18-12-14)19-8-6-15(7-9-19)21-11-10-20/h4-5,12-13,15,17,20H,3,6-11H2,1-2H3
InChIKeyMANUVXMJQLKSMQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.73
Rot. Bonds7

About 2-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]piperidin-4-yl]oxyethanol

2-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]piperidin-4-yl]oxyethanol (PubChem CID 82015575) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]piperidin-4-yl]oxyethanol
PubChem CID82015575
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]piperidin-4-yl]oxyethanol
SMILESCCNC(C)c1ccc(N2CCC(OCCO)CC2)nc1
InChIInChI=1S/C16H27N3O2/c1-3-17-13(2)14-4-5-16(18-12-14)19-8-6-15(7-9-19)21-11-10-20/h4-5,12-13,15,17,20H,3,6-11H2,1-2H3
InChIKeyMANUVXMJQLKSMQ-UHFFFAOYSA-N
XLogP1.73
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]piperidin-4-yl]oxyethanol (CID 82015575) is 2-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]piperidin-4-yl]oxyethanol is CCNC(C)c1ccc(N2CCC(OCCO)CC2)nc1.
What is the InChIKey of 2-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]piperidin-4-yl]oxyethanol?
The InChIKey is MANUVXMJQLKSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-17-13(2)14-4-5-16(18-12-14)19-8-6-15(7-9-19)21-11-10-20/h4-5,12-13,15,17,20H,3,6-11H2,1-2H3.
What are the key properties of 2-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]piperidin-4-yl]oxyethanol?
2-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]piperidin-4-yl]oxyethanol has a molecular weight of 293.41 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-[1-(ethylamino)ethyl]-2-pyridinyl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82015575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).