6-[3-[(2-ethoxycycloheptyl)oxymethyl]piperidin-1-yl]pyrazin-2-amine

C19H32N4O2 — CID 156552017

IUPAC6-[3-[(2-ethoxycycloheptyl)oxymethyl]piperidin-1-yl]pyrazin-2-amine
SMILESCCOC1CCCCCC1OCC1CCCN(c2cncc(N)n2)C1
InChIInChI=1S/C19H32N4O2/c1-2-24-16-8-4-3-5-9-17(16)25-14-15-7-6-10-23(13-15)19-12-21-11-18(20)22-19/h11-12,15-17H,2-10,13-14H2,1H3,(H2,20,22)
InChIKeyDEVZORYSPAVVQP-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.03
Rot. Bonds6

About 6-[3-[(2-ethoxycycloheptyl)oxymethyl]piperidin-1-yl]pyrazin-2-amine

6-[3-[(2-ethoxycycloheptyl)oxymethyl]piperidin-1-yl]pyrazin-2-amine (PubChem CID 156552017) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 6-[3-[(2-ethoxycycloheptyl)oxymethyl]piperidin-1-yl]pyrazin-2-amine.

Molecular Properties

Compound Name6-[3-[(2-ethoxycycloheptyl)oxymethyl]piperidin-1-yl]pyrazin-2-amine
PubChem CID156552017
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name6-[3-[(2-ethoxycycloheptyl)oxymethyl]piperidin-1-yl]pyrazin-2-amine
SMILESCCOC1CCCCCC1OCC1CCCN(c2cncc(N)n2)C1
InChIInChI=1S/C19H32N4O2/c1-2-24-16-8-4-3-5-9-17(16)25-14-15-7-6-10-23(13-15)19-12-21-11-18(20)22-19/h11-12,15-17H,2-10,13-14H2,1H3,(H2,20,22)
InChIKeyDEVZORYSPAVVQP-UHFFFAOYSA-N
XLogP3.03
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[(2-ethoxycycloheptyl)oxymethyl]piperidin-1-yl]pyrazin-2-amine?
The IUPAC name of 6-[3-[(2-ethoxycycloheptyl)oxymethyl]piperidin-1-yl]pyrazin-2-amine (CID 156552017) is 6-[3-[(2-ethoxycycloheptyl)oxymethyl]piperidin-1-yl]pyrazin-2-amine.
What is the SMILES notation for 6-[3-[(2-ethoxycycloheptyl)oxymethyl]piperidin-1-yl]pyrazin-2-amine?
The canonical SMILES for 6-[3-[(2-ethoxycycloheptyl)oxymethyl]piperidin-1-yl]pyrazin-2-amine is CCOC1CCCCCC1OCC1CCCN(c2cncc(N)n2)C1.
What is the InChIKey of 6-[3-[(2-ethoxycycloheptyl)oxymethyl]piperidin-1-yl]pyrazin-2-amine?
The InChIKey is DEVZORYSPAVVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-2-24-16-8-4-3-5-9-17(16)25-14-15-7-6-10-23(13-15)19-12-21-11-18(20)22-19/h11-12,15-17H,2-10,13-14H2,1H3,(H2,20,22).
What are the key properties of 6-[3-[(2-ethoxycycloheptyl)oxymethyl]piperidin-1-yl]pyrazin-2-amine?
6-[3-[(2-ethoxycycloheptyl)oxymethyl]piperidin-1-yl]pyrazin-2-amine has a molecular weight of 348.49 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(2-ethoxycycloheptyl)oxymethyl]piperidin-1-yl]pyrazin-2-amine is sourced from PubChem (CID 156552017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).