N-[3-(piperidin-4-ylmethoxy)propyl]but-3-en-1-amine

C13H26N2O — CID 141050459

IUPACN-[3-(piperidin-4-ylmethoxy)propyl]but-3-en-1-amine
SMILESC=CCCNCCCOCC1CCNCC1
InChIInChI=1S/C13H26N2O/c1-2-3-7-14-8-4-11-16-12-13-5-9-15-10-6-13/h2,13-15H,1,3-12H2
InChIKeyNWFZHGLZGUATAG-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.56
Rot. Bonds9

About N-[3-(piperidin-4-ylmethoxy)propyl]but-3-en-1-amine

N-[3-(piperidin-4-ylmethoxy)propyl]but-3-en-1-amine (PubChem CID 141050459) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[3-(piperidin-4-ylmethoxy)propyl]but-3-en-1-amine.

Molecular Properties

Compound NameN-[3-(piperidin-4-ylmethoxy)propyl]but-3-en-1-amine
PubChem CID141050459
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[3-(piperidin-4-ylmethoxy)propyl]but-3-en-1-amine
SMILESC=CCCNCCCOCC1CCNCC1
InChIInChI=1S/C13H26N2O/c1-2-3-7-14-8-4-11-16-12-13-5-9-15-10-6-13/h2,13-15H,1,3-12H2
InChIKeyNWFZHGLZGUATAG-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
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-(Allyloxymethyl)piperidine
CID 26190984
4-[(Allyloxy)methyl]piperidine hydrochloride
CID 46735627
N-(oxan-4-ylmethyl)prop-2-en-1-amine
CID 62384936
N-(oxan-4-ylmethyl)but-3-en-1-amine
CID 64313531
N-(oxan-3-ylmethyl)but-3-en-1-amine
CID 64314422
4-(1-Ethoxyethenyl)piperidine
CID 89209600
4-But-3-enyl-4-(3-methylbutan-2-yloxy)piperidine
CID 91487037
N-but-3-enyl-4-piperidin-4-yloxybutan-1-amine
CID 141050441
N-[2-(2-piperidin-4-ylethoxy)ethyl]but-3-en-1-amine
CID 141050443
2,2-dimethyl-N-(oxan-4-ylmethyl)but-3-en-1-amine
CID 169557764
N-(oxan-4-ylmethyl)hex-5-en-1-amine
CID 170016283
3-(Pent-4-enoxymethyl)piperidine
CID 53409457

Frequently Asked Questions

What is the IUPAC name of N-[3-(piperidin-4-ylmethoxy)propyl]but-3-en-1-amine?
The IUPAC name of N-[3-(piperidin-4-ylmethoxy)propyl]but-3-en-1-amine (CID 141050459) is N-[3-(piperidin-4-ylmethoxy)propyl]but-3-en-1-amine.
What is the SMILES notation for N-[3-(piperidin-4-ylmethoxy)propyl]but-3-en-1-amine?
The canonical SMILES for N-[3-(piperidin-4-ylmethoxy)propyl]but-3-en-1-amine is C=CCCNCCCOCC1CCNCC1.
What is the InChIKey of N-[3-(piperidin-4-ylmethoxy)propyl]but-3-en-1-amine?
The InChIKey is NWFZHGLZGUATAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-3-7-14-8-4-11-16-12-13-5-9-15-10-6-13/h2,13-15H,1,3-12H2.
What are the key properties of N-[3-(piperidin-4-ylmethoxy)propyl]but-3-en-1-amine?
N-[3-(piperidin-4-ylmethoxy)propyl]but-3-en-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.56, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(piperidin-4-ylmethoxy)propyl]but-3-en-1-amine is sourced from PubChem (CID 141050459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).