N-(3-hex-4-ynoxypropyl)-N-methyl-3-piperidin-1-ylpropan-1-amine

C18H34N2O — CID 174081593

IUPACN-(3-hex-4-ynoxypropyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
SMILESCC#CCCCOCCCN(C)CCCN1CCCCC1
InChIInChI=1S/C18H34N2O/c1-3-4-5-9-17-21-18-11-13-19(2)12-10-16-20-14-7-6-8-15-20/h5-18H2,1-2H3
InChIKeyNCVYMWHQMXGRKR-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.00
Rot. Bonds11

About N-(3-hex-4-ynoxypropyl)-N-methyl-3-piperidin-1-ylpropan-1-amine

N-(3-hex-4-ynoxypropyl)-N-methyl-3-piperidin-1-ylpropan-1-amine (PubChem CID 174081593) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is N-(3-hex-4-ynoxypropyl)-N-methyl-3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(3-hex-4-ynoxypropyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
PubChem CID174081593
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC NameN-(3-hex-4-ynoxypropyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
SMILESCC#CCCCOCCCN(C)CCCN1CCCCC1
InChIInChI=1S/C18H34N2O/c1-3-4-5-9-17-21-18-11-13-19(2)12-10-16-20-14-7-6-8-15-20/h5-18H2,1-2H3
InChIKeyNCVYMWHQMXGRKR-UHFFFAOYSA-N
XLogP3.00
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-hex-4-ynoxypropyl)-N-methyl-3-piperidin-1-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxypropyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 135181988
1-[methyl-[3-(3-piperidin-1-ylpropoxy)propyl]amino]hex-4-yn-3-ol
CID 174081613
N-methyl-N-[2-(2-piperidin-1-ylethoxy)ethyl]butan-1-amine
CID 172611817
3-pent-3-ynoxy-N-(2-piperidin-1-ylethyl)propan-1-amine
CID 174081579
N'-methyl-N'-(3-piperidin-1-ylpropyl)propane-1,3-diamine
CID 155107025
N,N'-dimethyl-N'-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethyl]-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 118891655
1-hex-4-ynyl-4-methylpiperazine
CID 143413129
N,N'-dimethyl-N'-(3-piperidin-1-ylpropyl)butane-1,4-diamine
CID 164861314
N'-methyl-N'-[2-(2-pyrrolidin-1-ylethoxy)ethyl]ethane-1,2-diamine
CID 118889595
2-[2-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethoxy]ethoxy]ethanol
CID 118891602
1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 134364578
7-(2-piperidin-1-ylethoxy)hept-2-yn-4-ol
CID 174081416

Frequently Asked Questions

What is the IUPAC name of N-(3-hex-4-ynoxypropyl)-N-methyl-3-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-(3-hex-4-ynoxypropyl)-N-methyl-3-piperidin-1-ylpropan-1-amine (CID 174081593) is N-(3-hex-4-ynoxypropyl)-N-methyl-3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-(3-hex-4-ynoxypropyl)-N-methyl-3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-(3-hex-4-ynoxypropyl)-N-methyl-3-piperidin-1-ylpropan-1-amine is CC#CCCCOCCCN(C)CCCN1CCCCC1.
What is the InChIKey of N-(3-hex-4-ynoxypropyl)-N-methyl-3-piperidin-1-ylpropan-1-amine?
The InChIKey is NCVYMWHQMXGRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-3-4-5-9-17-21-18-11-13-19(2)12-10-16-20-14-7-6-8-15-20/h5-18H2,1-2H3.
What are the key properties of N-(3-hex-4-ynoxypropyl)-N-methyl-3-piperidin-1-ylpropan-1-amine?
N-(3-hex-4-ynoxypropyl)-N-methyl-3-piperidin-1-ylpropan-1-amine has a molecular weight of 294.48 g/mol, XLogP of 3.00, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hex-4-ynoxypropyl)-N-methyl-3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 174081593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).