formaldehyde;1-methyl-4-(3-piperidin-1-ylpropyl)piperazine;propane

C17H37N3O — CID 143432580

IUPACformaldehyde;1-methyl-4-(3-piperidin-1-ylpropyl)piperazine;propane
SMILESC=O.CCC.CN1CCN(CCCN2CCCCC2)CC1
InChIInChI=1S/C13H27N3.C3H8.CH2O/c1-14-10-12-16(13-11-14)9-5-8-15-6-3-2-4-7-15;1-3-2;1-2/h2-13H2,1H3;3H2,1-2H3;1H2
InChIKeyWLJRLVQIXLSPKB-UHFFFAOYSA-N
MW299.50 g/mol
LogP2.34
Rot. Bonds4

About formaldehyde;1-methyl-4-(3-piperidin-1-ylpropyl)piperazine;propane

formaldehyde;1-methyl-4-(3-piperidin-1-ylpropyl)piperazine;propane (PubChem CID 143432580) has the molecular formula C17H37N3O and a molecular weight of 299.50 g/mol. Its IUPAC name is formaldehyde;1-methyl-4-(3-piperidin-1-ylpropyl)piperazine;propane.

Molecular Properties

Compound Nameformaldehyde;1-methyl-4-(3-piperidin-1-ylpropyl)piperazine;propane
PubChem CID143432580
Molecular FormulaC17H37N3O
Molecular Weight299.50 g/mol
Exact Mass299.29
IUPAC Nameformaldehyde;1-methyl-4-(3-piperidin-1-ylpropyl)piperazine;propane
SMILESC=O.CCC.CN1CCN(CCCN2CCCCC2)CC1
InChIInChI=1S/C13H27N3.C3H8.CH2O/c1-14-10-12-16(13-11-14)9-5-8-15-6-3-2-4-7-15;1-3-2;1-2/h2-13H2,1H3;3H2,1-2H3;1H2
InChIKeyWLJRLVQIXLSPKB-UHFFFAOYSA-N
XLogP2.34
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylpiperidin-1-ium-1-yl)-N-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]-N-methylethanamine
CID 3048018
N-methyl-2-(1-methylpiperidin-1-ium-1-yl)-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]ethanamine
CID 3062531
1-Ethyl-1-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium
CID 67972683
1-Butyl-1-[2-(1-butylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium
CID 67972814
4-(3-Piperidin-1-ylpropyl)piperazine-1-carbaldehyde
CID 82084391
1,4-dimethylpiperazine;N,N-dimethyl-3-piperidin-1-ylpropan-1-amine
CID 90697046
1-Ethyl-4-(4-piperidin-1-ylbutyl)piperazine;methane;hydrate
CID 142139914
1,4-Dimethylpiperazine;1-ethyl-3-methylpiperidine;formaldehyde
CID 142812230
Ethane;1-methyl-4-(2-piperidin-1-ylethyl)piperazine
CID 142839661
Ethane;1-methyl-4-(3-piperidin-1-ylpropyl)piperazine
CID 142839680
Ethane;1-methyl-4-(2-piperidin-1-ylethyl)piperazine
CID 142839710
Ethane;formaldehyde;1-methyl-2-(piperidin-1-ylmethyl)piperidine
CID 143677709

Frequently Asked Questions

What is the IUPAC name of formaldehyde;1-methyl-4-(3-piperidin-1-ylpropyl)piperazine;propane?
The IUPAC name of formaldehyde;1-methyl-4-(3-piperidin-1-ylpropyl)piperazine;propane (CID 143432580) is formaldehyde;1-methyl-4-(3-piperidin-1-ylpropyl)piperazine;propane.
What is the SMILES notation for formaldehyde;1-methyl-4-(3-piperidin-1-ylpropyl)piperazine;propane?
The canonical SMILES for formaldehyde;1-methyl-4-(3-piperidin-1-ylpropyl)piperazine;propane is C=O.CCC.CN1CCN(CCCN2CCCCC2)CC1.
What is the InChIKey of formaldehyde;1-methyl-4-(3-piperidin-1-ylpropyl)piperazine;propane?
The InChIKey is WLJRLVQIXLSPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3.C3H8.CH2O/c1-14-10-12-16(13-11-14)9-5-8-15-6-3-2-4-7-15;1-3-2;1-2/h2-13H2,1H3;3H2,1-2H3;1H2.
What are the key properties of formaldehyde;1-methyl-4-(3-piperidin-1-ylpropyl)piperazine;propane?
formaldehyde;1-methyl-4-(3-piperidin-1-ylpropyl)piperazine;propane has a molecular weight of 299.50 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;1-methyl-4-(3-piperidin-1-ylpropyl)piperazine;propane is sourced from PubChem (CID 143432580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).