1-(3-methoxypropyl)-N-(2-prop-1-enylpent-2-enyl)piperidin-4-amine

C17H32N2O — CID 123724092

IUPAC1-(3-methoxypropyl)-N-(2-prop-1-enylpent-2-enyl)piperidin-4-amine
SMILESCC=CC(=CCC)CNC1CCN(CCCOC)CC1
InChIInChI=1S/C17H32N2O/c1-4-7-16(8-5-2)15-18-17-9-12-19(13-10-17)11-6-14-20-3/h4,7-8,17-18H,5-6,9-15H2,1-3H3
InChIKeyIRFVMQXYIOJFOH-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.99
Rot. Bonds9

About 1-(3-methoxypropyl)-N-(2-prop-1-enylpent-2-enyl)piperidin-4-amine

1-(3-methoxypropyl)-N-(2-prop-1-enylpent-2-enyl)piperidin-4-amine (PubChem CID 123724092) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-N-(2-prop-1-enylpent-2-enyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-N-(2-prop-1-enylpent-2-enyl)piperidin-4-amine
PubChem CID123724092
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-(3-methoxypropyl)-N-(2-prop-1-enylpent-2-enyl)piperidin-4-amine
SMILESCC=CC(=CCC)CNC1CCN(CCCOC)CC1
InChIInChI=1S/C17H32N2O/c1-4-7-16(8-5-2)15-18-17-9-12-19(13-10-17)11-6-14-20-3/h4,7-8,17-18H,5-6,9-15H2,1-3H3
InChIKeyIRFVMQXYIOJFOH-UHFFFAOYSA-N
XLogP2.99
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(2-aminocyclohexa-1,3-dien-1-yl)methyl]-N-(methoxymethyl)piperidin-4-amine
CID 71154231
4-Ethenyl-3-morpholin-4-ylocta-4,6-dien-1-amine
CID 91378889
N-(2-methoxyethyl)-N,5-dimethyl-6-piperidin-4-ylidene-2-prop-1-en-2-ylhexa-2,4-dien-1-amine
CID 123796658
(Z,2E)-1-cyclohepta-1,4,6-trien-1-yl-N-ethyl-2-ethylidenepent-3-en-1-amine;ethene;4-ethenoxy-1-tridecylpiperidine
CID 141986680
N-ethyl-1-[(3E,5Z)-3-methylocta-3,5,7-trienyl]piperidin-4-amine
CID 142256444
N-methyl-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]piperidin-4-amine
CID 142457550
1-[(Z,2E)-2-ethylidenehex-3-enyl]-3-(2-methoxyethyl)piperazine
CID 142920889
ethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N-methylpiperidin-4-amine;N-methylmethanamine;propane
CID 142961074
ethane;2-[4-(ethylamino)piperidin-1-yl]acetaldehyde;(2Z,4Z)-N-methyl-4-propylhepta-2,4-dien-1-amine;propane
CID 142998399
ethane;1-[(2E)-2-ethylpenta-2,4-dienyl]-N-methylpiperidin-4-amine
CID 143147784
ethane;N-[(E)-4-ethoxy-2-methylidenepent-3-enyl]-1-ethylpiperidin-4-amine
CID 143376027
methanamine;N-[(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dienyl]-N'-(oxan-4-yl)propane-1,3-diamine
CID 143378321

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-N-(2-prop-1-enylpent-2-enyl)piperidin-4-amine?
The IUPAC name of 1-(3-methoxypropyl)-N-(2-prop-1-enylpent-2-enyl)piperidin-4-amine (CID 123724092) is 1-(3-methoxypropyl)-N-(2-prop-1-enylpent-2-enyl)piperidin-4-amine.
What is the SMILES notation for 1-(3-methoxypropyl)-N-(2-prop-1-enylpent-2-enyl)piperidin-4-amine?
The canonical SMILES for 1-(3-methoxypropyl)-N-(2-prop-1-enylpent-2-enyl)piperidin-4-amine is CC=CC(=CCC)CNC1CCN(CCCOC)CC1.
What is the InChIKey of 1-(3-methoxypropyl)-N-(2-prop-1-enylpent-2-enyl)piperidin-4-amine?
The InChIKey is IRFVMQXYIOJFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-4-7-16(8-5-2)15-18-17-9-12-19(13-10-17)11-6-14-20-3/h4,7-8,17-18H,5-6,9-15H2,1-3H3.
What are the key properties of 1-(3-methoxypropyl)-N-(2-prop-1-enylpent-2-enyl)piperidin-4-amine?
1-(3-methoxypropyl)-N-(2-prop-1-enylpent-2-enyl)piperidin-4-amine has a molecular weight of 280.46 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-N-(2-prop-1-enylpent-2-enyl)piperidin-4-amine is sourced from PubChem (CID 123724092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).