N-(3-ethoxyspiro[3.4]octan-1-yl)-1-propylpiperidin-4-amine

C18H34N2O — CID 64864801

IUPACN-(3-ethoxyspiro[3.4]octan-1-yl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NC2CC(OCC)C23CCCC3)CC1
InChIInChI=1S/C18H34N2O/c1-3-11-20-12-7-15(8-13-20)19-16-14-17(21-4-2)18(16)9-5-6-10-18/h15-17,19H,3-14H2,1-2H3
InChIKeyDSHYCOHTVZQBER-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.19
Rot. Bonds6

About N-(3-ethoxyspiro[3.4]octan-1-yl)-1-propylpiperidin-4-amine

N-(3-ethoxyspiro[3.4]octan-1-yl)-1-propylpiperidin-4-amine (PubChem CID 64864801) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.4]octan-1-yl)-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.4]octan-1-yl)-1-propylpiperidin-4-amine
PubChem CID64864801
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC NameN-(3-ethoxyspiro[3.4]octan-1-yl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NC2CC(OCC)C23CCCC3)CC1
InChIInChI=1S/C18H34N2O/c1-3-11-20-12-7-15(8-13-20)19-16-14-17(21-4-2)18(16)9-5-6-10-18/h15-17,19H,3-14H2,1-2H3
InChIKeyDSHYCOHTVZQBER-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.4]octan-1-yl)-1-propylpiperidin-4-amine?
The IUPAC name of N-(3-ethoxyspiro[3.4]octan-1-yl)-1-propylpiperidin-4-amine (CID 64864801) is N-(3-ethoxyspiro[3.4]octan-1-yl)-1-propylpiperidin-4-amine.
What is the SMILES notation for N-(3-ethoxyspiro[3.4]octan-1-yl)-1-propylpiperidin-4-amine?
The canonical SMILES for N-(3-ethoxyspiro[3.4]octan-1-yl)-1-propylpiperidin-4-amine is CCCN1CCC(NC2CC(OCC)C23CCCC3)CC1.
What is the InChIKey of N-(3-ethoxyspiro[3.4]octan-1-yl)-1-propylpiperidin-4-amine?
The InChIKey is DSHYCOHTVZQBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-3-11-20-12-7-15(8-13-20)19-16-14-17(21-4-2)18(16)9-5-6-10-18/h15-17,19H,3-14H2,1-2H3.
What are the key properties of N-(3-ethoxyspiro[3.4]octan-1-yl)-1-propylpiperidin-4-amine?
N-(3-ethoxyspiro[3.4]octan-1-yl)-1-propylpiperidin-4-amine has a molecular weight of 294.48 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.4]octan-1-yl)-1-propylpiperidin-4-amine is sourced from PubChem (CID 64864801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).