3-pent-3-ynoxy-N-(2-piperidin-1-ylethyl)propan-1-amine

C15H28N2O — CID 174081579

IUPAC3-pent-3-ynoxy-N-(2-piperidin-1-ylethyl)propan-1-amine
SMILESCC#CCCOCCCNCCN1CCCCC1
InChIInChI=1S/C15H28N2O/c1-2-3-7-14-18-15-8-9-16-10-13-17-11-5-4-6-12-17/h16H,4-15H2,1H3
InChIKeyVYTGBGWOKUJSIL-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.88
Rot. Bonds9

About 3-pent-3-ynoxy-N-(2-piperidin-1-ylethyl)propan-1-amine

3-pent-3-ynoxy-N-(2-piperidin-1-ylethyl)propan-1-amine (PubChem CID 174081579) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-pent-3-ynoxy-N-(2-piperidin-1-ylethyl)propan-1-amine.

Molecular Properties

Compound Name3-pent-3-ynoxy-N-(2-piperidin-1-ylethyl)propan-1-amine
PubChem CID174081579
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3-pent-3-ynoxy-N-(2-piperidin-1-ylethyl)propan-1-amine
SMILESCC#CCCOCCCNCCN1CCCCC1
InChIInChI=1S/C15H28N2O/c1-2-3-7-14-18-15-8-9-16-10-13-17-11-5-4-6-12-17/h16H,4-15H2,1H3
InChIKeyVYTGBGWOKUJSIL-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-pyrrolidin-1-ylethyl)pent-3-yn-1-amine
CID 104806798
N-[2-(3-methoxypropoxy)ethyl]-2-pyrrolidin-1-ylethanamine
CID 103178950
N-(3-hex-4-ynoxypropyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 174081593
1-[3-(2-piperidin-1-ylethoxy)propylamino]pent-3-yn-2-one
CID 174081604
N-(2-ethoxyethyl)-2-piperidin-1-ylethanamine
CID 60697193
N-methyl-3-(2-piperidin-1-ylethoxy)propan-1-amine
CID 62459312
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propoxypropan-1-amine
CID 82944415
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
N-[3-(2-methoxyethoxy)propyl]pent-3-yn-1-amine
CID 103409708
N-[2-(2-methoxyethoxy)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 114031951
N-[2-(azepan-1-yl)ethyl]hexan-1-amine
CID 61239608
2-methyl-N-[3-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]propyl]propan-1-amine
CID 57222400

Frequently Asked Questions

What is the IUPAC name of 3-pent-3-ynoxy-N-(2-piperidin-1-ylethyl)propan-1-amine?
The IUPAC name of 3-pent-3-ynoxy-N-(2-piperidin-1-ylethyl)propan-1-amine (CID 174081579) is 3-pent-3-ynoxy-N-(2-piperidin-1-ylethyl)propan-1-amine.
What is the SMILES notation for 3-pent-3-ynoxy-N-(2-piperidin-1-ylethyl)propan-1-amine?
The canonical SMILES for 3-pent-3-ynoxy-N-(2-piperidin-1-ylethyl)propan-1-amine is CC#CCCOCCCNCCN1CCCCC1.
What is the InChIKey of 3-pent-3-ynoxy-N-(2-piperidin-1-ylethyl)propan-1-amine?
The InChIKey is VYTGBGWOKUJSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-3-7-14-18-15-8-9-16-10-13-17-11-5-4-6-12-17/h16H,4-15H2,1H3.
What are the key properties of 3-pent-3-ynoxy-N-(2-piperidin-1-ylethyl)propan-1-amine?
3-pent-3-ynoxy-N-(2-piperidin-1-ylethyl)propan-1-amine has a molecular weight of 252.40 g/mol, XLogP of 1.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-3-ynoxy-N-(2-piperidin-1-ylethyl)propan-1-amine is sourced from PubChem (CID 174081579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).