1,4-dimethylpiperidine;formaldehyde;1-hexylpiperidine

C19H40N2O — CID 143422571

IUPAC1,4-dimethylpiperidine;formaldehyde;1-hexylpiperidine
SMILESC=O.CC1CCN(C)CC1.CCCCCCN1CCCCC1
InChIInChI=1S/C11H23N.C7H15N.CH2O/c1-2-3-4-6-9-12-10-7-5-8-11-12;1-7-3-5-8(2)6-4-7;1-2/h2-11H2,1H3;7H,3-6H2,1-2H3;1H2
InChIKeyZZSAPPINTACFHM-UHFFFAOYSA-N
MW312.54 g/mol
LogP4.22
Rot. Bonds5

About 1,4-dimethylpiperidine;formaldehyde;1-hexylpiperidine

1,4-dimethylpiperidine;formaldehyde;1-hexylpiperidine (PubChem CID 143422571) has the molecular formula C19H40N2O and a molecular weight of 312.54 g/mol. Its IUPAC name is 1,4-dimethylpiperidine;formaldehyde;1-hexylpiperidine.

Molecular Properties

Compound Name1,4-dimethylpiperidine;formaldehyde;1-hexylpiperidine
PubChem CID143422571
Molecular FormulaC19H40N2O
Molecular Weight312.54 g/mol
Exact Mass312.31
IUPAC Name1,4-dimethylpiperidine;formaldehyde;1-hexylpiperidine
SMILESC=O.CC1CCN(C)CC1.CCCCCCN1CCCCC1
InChIInChI=1S/C11H23N.C7H15N.CH2O/c1-2-3-4-6-9-12-10-7-5-8-11-12;1-7-3-5-8(2)6-4-7;1-2/h2-11H2,1H3;7H,3-6H2,1-2H3;1H2
InChIKeyZZSAPPINTACFHM-UHFFFAOYSA-N
XLogP4.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.54
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine
CID 90926152
Bis(1,1,4-trimethylpiperidin-1-ium);carbonate
CID 141451796
N,N-dimethylformamide;ethane;1-ethyl-4-(2-piperidin-1-ylethyl)piperidine
CID 142390567
1-Ethyl-4-(piperidin-1-ylmethyl)piperidine;formamide
CID 142596949
1,4-Dimethylpiperazine;1-ethyl-3-methylpiperidine;formaldehyde
CID 142812230
Ethane;1-methyl-4-(2-piperidin-1-ylethyl)piperidine
CID 143122946
Bis(1,4-dimethylpiperidine);ethane
CID 143376353
1,4-Dimethylpiperidine;ethane;1-ethyl-4-methylpiperidine
CID 144022531
Ethane;1-ethyl-4-methylpiperidine;1-ethylpiperidine
CID 145535674
1-Methyl-4-[2-methyl-3-(4-methylpiperidin-1-yl)propyl]piperidine
CID 153347352
1-(3-Methylbutyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine
CID 153596762
4-[[4-(2-Methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde;propane
CID 156707614

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperidine;formaldehyde;1-hexylpiperidine?
The IUPAC name of 1,4-dimethylpiperidine;formaldehyde;1-hexylpiperidine (CID 143422571) is 1,4-dimethylpiperidine;formaldehyde;1-hexylpiperidine.
What is the SMILES notation for 1,4-dimethylpiperidine;formaldehyde;1-hexylpiperidine?
The canonical SMILES for 1,4-dimethylpiperidine;formaldehyde;1-hexylpiperidine is C=O.CC1CCN(C)CC1.CCCCCCN1CCCCC1.
What is the InChIKey of 1,4-dimethylpiperidine;formaldehyde;1-hexylpiperidine?
The InChIKey is ZZSAPPINTACFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C7H15N.CH2O/c1-2-3-4-6-9-12-10-7-5-8-11-12;1-7-3-5-8(2)6-4-7;1-2/h2-11H2,1H3;7H,3-6H2,1-2H3;1H2.
What are the key properties of 1,4-dimethylpiperidine;formaldehyde;1-hexylpiperidine?
1,4-dimethylpiperidine;formaldehyde;1-hexylpiperidine has a molecular weight of 312.54 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperidine;formaldehyde;1-hexylpiperidine is sourced from PubChem (CID 143422571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).