N-propan-2-yl-3-[4-(3-propan-2-yloxypropyl)piperidin-1-yl]prop-1-en-2-amine

C17H34N2O — CID 170569679

IUPACN-propan-2-yl-3-[4-(3-propan-2-yloxypropyl)piperidin-1-yl]prop-1-en-2-amine
SMILESC=C(CN1CCC(CCCOC(C)C)CC1)NC(C)C
InChIInChI=1S/C17H34N2O/c1-14(2)18-16(5)13-19-10-8-17(9-11-19)7-6-12-20-15(3)4/h14-15,17-18H,5-13H2,1-4H3
InChIKeyPGFBYIBWJPZMIB-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.42
Rot. Bonds9

About N-propan-2-yl-3-[4-(3-propan-2-yloxypropyl)piperidin-1-yl]prop-1-en-2-amine

N-propan-2-yl-3-[4-(3-propan-2-yloxypropyl)piperidin-1-yl]prop-1-en-2-amine (PubChem CID 170569679) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-propan-2-yl-3-[4-(3-propan-2-yloxypropyl)piperidin-1-yl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-[4-(3-propan-2-yloxypropyl)piperidin-1-yl]prop-1-en-2-amine
PubChem CID170569679
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-propan-2-yl-3-[4-(3-propan-2-yloxypropyl)piperidin-1-yl]prop-1-en-2-amine
SMILESC=C(CN1CCC(CCCOC(C)C)CC1)NC(C)C
InChIInChI=1S/C17H34N2O/c1-14(2)18-16(5)13-19-10-8-17(9-11-19)7-6-12-20-15(3)4/h14-15,17-18H,5-13H2,1-4H3
InChIKeyPGFBYIBWJPZMIB-UHFFFAOYSA-N
XLogP3.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-2-[(3R)-3-(3-propan-2-yloxypropyl)pyrrolidin-1-yl]acetamide
CID 170374606
1-(4-methylpentyl)-4-(3-propan-2-yloxypropyl)piperidine
CID 170372323
N-propan-2-yl-5-propan-2-yloxypent-1-en-2-amine
CID 178056525
2-[4-(3-methoxypropyl)piperidin-1-yl]-1-(prop-1-en-2-ylamino)ethanol
CID 170569588
1-[2-[4-(3-methoxypropyl)piperidin-1-yl]ethyl]-4-propan-2-ylpiperidine
CID 175629532
N-[[1-(2-bromoprop-2-enyl)piperidin-4-yl]methyl]propan-2-amine
CID 63849110
1-(4-methylpiperazin-1-yl)-2-[4-(2-propan-2-yloxyethyl)piperidin-1-yl]ethanone
CID 170569122
N-propan-2-yl-2-[4-[(3R)-3-propan-2-yloxybutyl]piperidin-1-yl]acetamide
CID 170372048
2-[4-(2-hydroxyethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 121200085
2-propan-2-yloxy-1-[4-(4-propan-2-yloxybutyl)piperidin-1-yl]ethanone
CID 167478681
N-propan-2-yl-2-[(3S)-3-(2-propan-2-yloxyethyl)piperidin-1-yl]acetamide
CID 170372113
N-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592739

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[4-(3-propan-2-yloxypropyl)piperidin-1-yl]prop-1-en-2-amine?
The IUPAC name of N-propan-2-yl-3-[4-(3-propan-2-yloxypropyl)piperidin-1-yl]prop-1-en-2-amine (CID 170569679) is N-propan-2-yl-3-[4-(3-propan-2-yloxypropyl)piperidin-1-yl]prop-1-en-2-amine.
What is the SMILES notation for N-propan-2-yl-3-[4-(3-propan-2-yloxypropyl)piperidin-1-yl]prop-1-en-2-amine?
The canonical SMILES for N-propan-2-yl-3-[4-(3-propan-2-yloxypropyl)piperidin-1-yl]prop-1-en-2-amine is C=C(CN1CCC(CCCOC(C)C)CC1)NC(C)C.
What is the InChIKey of N-propan-2-yl-3-[4-(3-propan-2-yloxypropyl)piperidin-1-yl]prop-1-en-2-amine?
The InChIKey is PGFBYIBWJPZMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-14(2)18-16(5)13-19-10-8-17(9-11-19)7-6-12-20-15(3)4/h14-15,17-18H,5-13H2,1-4H3.
What are the key properties of N-propan-2-yl-3-[4-(3-propan-2-yloxypropyl)piperidin-1-yl]prop-1-en-2-amine?
N-propan-2-yl-3-[4-(3-propan-2-yloxypropyl)piperidin-1-yl]prop-1-en-2-amine has a molecular weight of 282.47 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[4-(3-propan-2-yloxypropyl)piperidin-1-yl]prop-1-en-2-amine is sourced from PubChem (CID 170569679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).