N,N-dimethylformamide;1-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine

C17H36N4O — CID 156719712

IUPACN,N-dimethylformamide;1-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine
SMILESCCN1CCC(CCN2CCN(C)CC2)CC1.CN(C)C=O
InChIInChI=1S/C14H29N3.C3H7NO/c1-3-16-7-4-14(5-8-16)6-9-17-12-10-15(2)11-13-17;1-4(2)3-5/h14H,3-13H2,1-2H3;3H,1-2H3
InChIKeyYYZVKYFQHKKCGX-UHFFFAOYSA-N
MW312.50 g/mol
LogP1.06
Rot. Bonds5

About N,N-dimethylformamide;1-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine

N,N-dimethylformamide;1-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine (PubChem CID 156719712) has the molecular formula C17H36N4O and a molecular weight of 312.50 g/mol. Its IUPAC name is N,N-dimethylformamide;1-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine.

Molecular Properties

Compound NameN,N-dimethylformamide;1-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine
PubChem CID156719712
Molecular FormulaC17H36N4O
Molecular Weight312.50 g/mol
Exact Mass312.29
IUPAC NameN,N-dimethylformamide;1-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine
SMILESCCN1CCC(CCN2CCN(C)CC2)CC1.CN(C)C=O
InChIInChI=1S/C14H29N3.C3H7NO/c1-3-16-7-4-14(5-8-16)6-9-17-12-10-15(2)11-13-17;1-4(2)3-5/h14H,3-13H2,1-2H3;3H,1-2H3
InChIKeyYYZVKYFQHKKCGX-UHFFFAOYSA-N
XLogP1.06
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[3,3-Difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-1-carbaldehyde;2-methylpropane
CID 176558506
N-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]formamide
CID 118069129
2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide
CID 122494877
3-[(4-Methylpiperazin-1-yl)methyl]piperidine-1-carbaldehyde
CID 134173817
N,N-dimethylformamide;ethane;1-ethyl-4-(2-piperidin-1-ylethyl)piperidine
CID 142390567
1,4-Dimethylpiperazine;1-ethyl-3-methylpiperidine;formaldehyde
CID 142812230
1,4-Dimethylpiperidine;formaldehyde;1-hexylpiperidine
CID 143422571
4-[(1-Methylpiperidin-4-yl)methyl]piperazine-1-carbaldehyde
CID 145633216
4-[[4-(2-Methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde;propane
CID 156707614
N,N-dimethylmethanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane
CID 158426450
N,N-dimethylmethanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane
CID 160736094
3,3-Dimethylbutan-1-amine;ethane;4-(piperazin-1-ylmethyl)piperidine-1-carbaldehyde
CID 163269334

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;1-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine?
The IUPAC name of N,N-dimethylformamide;1-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine (CID 156719712) is N,N-dimethylformamide;1-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine.
What is the SMILES notation for N,N-dimethylformamide;1-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine?
The canonical SMILES for N,N-dimethylformamide;1-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine is CCN1CCC(CCN2CCN(C)CC2)CC1.CN(C)C=O.
What is the InChIKey of N,N-dimethylformamide;1-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine?
The InChIKey is YYZVKYFQHKKCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3.C3H7NO/c1-3-16-7-4-14(5-8-16)6-9-17-12-10-15(2)11-13-17;1-4(2)3-5/h14H,3-13H2,1-2H3;3H,1-2H3.
What are the key properties of N,N-dimethylformamide;1-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine?
N,N-dimethylformamide;1-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine has a molecular weight of 312.50 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;1-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine is sourced from PubChem (CID 156719712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).