ethane;N-methylmethanamine;2-[1-(3-phenylpropyl)piperidin-4-yl]acetaldehyde

C20H36N2O — CID 142596902

IUPACethane;N-methylmethanamine;2-[1-(3-phenylpropyl)piperidin-4-yl]acetaldehyde
SMILESCC.CNC.O=CCC1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C16H23NO.C2H7N.C2H6/c18-14-10-16-8-12-17(13-9-16)11-4-7-15-5-2-1-3-6-15;1-3-2;1-2/h1-3,5-6,14,16H,4,7-13H2;3H,1-2H3;1-2H3
InChIKeyUQTWPBWCVUZVPU-UHFFFAOYSA-N
MW320.52 g/mol
LogP3.78
Rot. Bonds6

About ethane;N-methylmethanamine;2-[1-(3-phenylpropyl)piperidin-4-yl]acetaldehyde

ethane;N-methylmethanamine;2-[1-(3-phenylpropyl)piperidin-4-yl]acetaldehyde (PubChem CID 142596902) has the molecular formula C20H36N2O and a molecular weight of 320.52 g/mol. Its IUPAC name is ethane;N-methylmethanamine;2-[1-(3-phenylpropyl)piperidin-4-yl]acetaldehyde.

Molecular Properties

Compound Nameethane;N-methylmethanamine;2-[1-(3-phenylpropyl)piperidin-4-yl]acetaldehyde
PubChem CID142596902
Molecular FormulaC20H36N2O
Molecular Weight320.52 g/mol
Exact Mass320.28
IUPAC Nameethane;N-methylmethanamine;2-[1-(3-phenylpropyl)piperidin-4-yl]acetaldehyde
SMILESCC.CNC.O=CCC1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C16H23NO.C2H7N.C2H6/c18-14-10-16-8-12-17(13-9-16)11-4-7-15-5-2-1-3-6-15;1-3-2;1-2/h1-3,5-6,14,16H,4,7-13H2;3H,1-2H3;1-2H3
InChIKeyUQTWPBWCVUZVPU-UHFFFAOYSA-N
XLogP3.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[1-(3-phenylpropyl)piperidin-4-yl]acetamide
CID 142597068
4-(chloromethyl)-1-(3-phenylpropyl)piperidine
CID 55183322
N-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]ethanamine
CID 114333870
3-(bromomethyl)-1-(3-phenylpropyl)pyrrolidine
CID 80691457
(3R)-N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 142940640
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
4-(3-phenylpropyl)-1-[4-[4-(3-phenylpropyl)piperidin-1-yl]butyl]piperidine;dihydrochloride
CID 70096793
[1-(4-phenylbutyl)piperidin-4-yl]methanamine
CID 69419059
N-(cyclopropylmethyl)-1-(3-phenylpropyl)piperidin-4-amine
CID 24731541
N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropan-1-amine
CID 28525953
4-methyl-1-(4-phenylbutyl)piperidine
CID 118534913
N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 5127032

Frequently Asked Questions

What is the IUPAC name of ethane;N-methylmethanamine;2-[1-(3-phenylpropyl)piperidin-4-yl]acetaldehyde?
The IUPAC name of ethane;N-methylmethanamine;2-[1-(3-phenylpropyl)piperidin-4-yl]acetaldehyde (CID 142596902) is ethane;N-methylmethanamine;2-[1-(3-phenylpropyl)piperidin-4-yl]acetaldehyde.
What is the SMILES notation for ethane;N-methylmethanamine;2-[1-(3-phenylpropyl)piperidin-4-yl]acetaldehyde?
The canonical SMILES for ethane;N-methylmethanamine;2-[1-(3-phenylpropyl)piperidin-4-yl]acetaldehyde is CC.CNC.O=CCC1CCN(CCCc2ccccc2)CC1.
What is the InChIKey of ethane;N-methylmethanamine;2-[1-(3-phenylpropyl)piperidin-4-yl]acetaldehyde?
The InChIKey is UQTWPBWCVUZVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO.C2H7N.C2H6/c18-14-10-16-8-12-17(13-9-16)11-4-7-15-5-2-1-3-6-15;1-3-2;1-2/h1-3,5-6,14,16H,4,7-13H2;3H,1-2H3;1-2H3.
What are the key properties of ethane;N-methylmethanamine;2-[1-(3-phenylpropyl)piperidin-4-yl]acetaldehyde?
ethane;N-methylmethanamine;2-[1-(3-phenylpropyl)piperidin-4-yl]acetaldehyde has a molecular weight of 320.52 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylmethanamine;2-[1-(3-phenylpropyl)piperidin-4-yl]acetaldehyde is sourced from PubChem (CID 142596902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).