N-but-3-enyl-4-piperidin-4-yloxybutan-1-amine

C13H26N2O — CID 141050441

IUPACN-but-3-enyl-4-piperidin-4-yloxybutan-1-amine
SMILESC=CCCNCCCCOC1CCNCC1
InChIInChI=1S/C13H26N2O/c1-2-3-8-14-9-4-5-12-16-13-6-10-15-11-7-13/h2,13-15H,1,3-12H2
InChIKeyDHVQZLIVXWDKGF-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.70
Rot. Bonds9

About N-but-3-enyl-4-piperidin-4-yloxybutan-1-amine

N-but-3-enyl-4-piperidin-4-yloxybutan-1-amine (PubChem CID 141050441) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-but-3-enyl-4-piperidin-4-yloxybutan-1-amine.

Molecular Properties

Compound NameN-but-3-enyl-4-piperidin-4-yloxybutan-1-amine
PubChem CID141050441
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-but-3-enyl-4-piperidin-4-yloxybutan-1-amine
SMILESC=CCCNCCCCOC1CCNCC1
InChIInChI=1S/C13H26N2O/c1-2-3-8-14-9-4-5-12-16-13-6-10-15-11-7-13/h2,13-15H,1,3-12H2
InChIKeyDHVQZLIVXWDKGF-UHFFFAOYSA-N
XLogP1.70
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(but-3-enylamino)pentoxy]-N-methylcyclohexan-1-amine
CID 174464213
N-(cyclopropylmethyl)-6-piperidin-4-yloxyhexan-1-amine
CID 69287990
[4-[6-(but-3-enylamino)hexoxy]cyclohexyl]methylsulfamic acid
CID 141050239
1-piperidin-4-yloxyoct-7-en-3-one
CID 116572312
4-prop-2-enoxypiperidine
CID 15172751
4-pentoxypiperidine
CID 43167830
3-methyl-N-(3-piperidin-4-yloxypropyl)-2-propan-2-ylbutan-1-amine
CID 102913624
N-(4-bromophenyl)-4-[6-(but-3-enylamino)hexoxy]piperidine-1-carboxamide
CID 141050431
4-[6-(but-3-enylamino)hexoxy]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 141050434
(3S)-3-hept-6-enoxypiperidine
CID 107007733
ethane;4-prop-2-enoxypiperidine
CID 171805898
5-bromo-N-[[4-[4-(but-3-enylamino)butoxy]cyclohexyl]methyl]thiophene-2-carboxamide
CID 141050230

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-4-piperidin-4-yloxybutan-1-amine?
The IUPAC name of N-but-3-enyl-4-piperidin-4-yloxybutan-1-amine (CID 141050441) is N-but-3-enyl-4-piperidin-4-yloxybutan-1-amine.
What is the SMILES notation for N-but-3-enyl-4-piperidin-4-yloxybutan-1-amine?
The canonical SMILES for N-but-3-enyl-4-piperidin-4-yloxybutan-1-amine is C=CCCNCCCCOC1CCNCC1.
What is the InChIKey of N-but-3-enyl-4-piperidin-4-yloxybutan-1-amine?
The InChIKey is DHVQZLIVXWDKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-3-8-14-9-4-5-12-16-13-6-10-15-11-7-13/h2,13-15H,1,3-12H2.
What are the key properties of N-but-3-enyl-4-piperidin-4-yloxybutan-1-amine?
N-but-3-enyl-4-piperidin-4-yloxybutan-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-4-piperidin-4-yloxybutan-1-amine is sourced from PubChem (CID 141050441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).