ethane;formaldehyde;1-methyl-2-(piperidin-1-ylmethyl)piperidine

C17H38N2O — CID 143677709

IUPACethane;formaldehyde;1-methyl-2-(piperidin-1-ylmethyl)piperidine
SMILESC=O.CC.CC.CN1CCCCC1CN1CCCCC1
InChIInChI=1S/C12H24N2.2C2H6.CH2O/c1-13-8-6-3-7-12(13)11-14-9-4-2-5-10-14;3*1-2/h12H,2-11H2,1H3;2*1-2H3;1H2
InChIKeyPFFSFEQGQPDSLV-UHFFFAOYSA-N
MW286.50 g/mol
LogP3.82
Rot. Bonds2

About ethane;formaldehyde;1-methyl-2-(piperidin-1-ylmethyl)piperidine

ethane;formaldehyde;1-methyl-2-(piperidin-1-ylmethyl)piperidine (PubChem CID 143677709) has the molecular formula C17H38N2O and a molecular weight of 286.50 g/mol. Its IUPAC name is ethane;formaldehyde;1-methyl-2-(piperidin-1-ylmethyl)piperidine.

Molecular Properties

Compound Nameethane;formaldehyde;1-methyl-2-(piperidin-1-ylmethyl)piperidine
PubChem CID143677709
Molecular FormulaC17H38N2O
Molecular Weight286.50 g/mol
Exact Mass286.30
IUPAC Nameethane;formaldehyde;1-methyl-2-(piperidin-1-ylmethyl)piperidine
SMILESC=O.CC.CC.CN1CCCCC1CN1CCCCC1
InChIInChI=1S/C12H24N2.2C2H6.CH2O/c1-13-8-6-3-7-12(13)11-14-9-4-2-5-10-14;3*1-2/h12H,2-11H2,1H3;2*1-2H3;1H2
InChIKeyPFFSFEQGQPDSLV-UHFFFAOYSA-N
XLogP3.82
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.50
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Piperazinecarboxaldehyde,4-(1-ethyl-4-piperidinyl)-(9CI)
CID 2846675
4-(4-Methylpiperazin-1-yl)piperidine-1-carbaldehyde
CID 87225878
4-(1-Methylpiperidin-4-yl)piperazine-1-carbaldehyde
CID 87291661
2-(Piperidin-1-ylmethyl)piperidine-1-carbaldehyde
CID 87381472
2-[(4-Methylpiperazin-1-yl)methyl]piperidine-1-carbaldehyde
CID 87628434
4-(1-Methylpiperidin-3-yl)piperazine-1-carbaldehyde
CID 91380261
1-[2-(2,6-Dimethyl-1-piperidyl)ethyl]-2,6-dimethyl-piperidine
CID 132989408
2-Methyl-1-[5-(2-methyl-4-propan-2-ylpiperazin-1-yl)hexan-2-yl]-4-propan-2-ylpiperazine
CID 134350836
1-(1-Hexan-3-ylpiperidin-4-yl)-4-methylpiperazine
CID 134458059
1-(1-Hexan-2-ylpiperidin-4-yl)-4-methylpiperazine
CID 134458081
2-Methyl-4-propan-2-yl-1-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazine
CID 135176178
1-Ethyl-4-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazine
CID 137390892

Frequently Asked Questions

What is the IUPAC name of ethane;formaldehyde;1-methyl-2-(piperidin-1-ylmethyl)piperidine?
The IUPAC name of ethane;formaldehyde;1-methyl-2-(piperidin-1-ylmethyl)piperidine (CID 143677709) is ethane;formaldehyde;1-methyl-2-(piperidin-1-ylmethyl)piperidine.
What is the SMILES notation for ethane;formaldehyde;1-methyl-2-(piperidin-1-ylmethyl)piperidine?
The canonical SMILES for ethane;formaldehyde;1-methyl-2-(piperidin-1-ylmethyl)piperidine is C=O.CC.CC.CN1CCCCC1CN1CCCCC1.
What is the InChIKey of ethane;formaldehyde;1-methyl-2-(piperidin-1-ylmethyl)piperidine?
The InChIKey is PFFSFEQGQPDSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.2C2H6.CH2O/c1-13-8-6-3-7-12(13)11-14-9-4-2-5-10-14;3*1-2/h12H,2-11H2,1H3;2*1-2H3;1H2.
What are the key properties of ethane;formaldehyde;1-methyl-2-(piperidin-1-ylmethyl)piperidine?
ethane;formaldehyde;1-methyl-2-(piperidin-1-ylmethyl)piperidine has a molecular weight of 286.50 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formaldehyde;1-methyl-2-(piperidin-1-ylmethyl)piperidine is sourced from PubChem (CID 143677709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).