formaldehyde;2-(4-methylpiperidin-4-yl)ethanamine

C9H20N2O — CID 143596022

IUPACformaldehyde;2-(4-methylpiperidin-4-yl)ethanamine
SMILESC=O.CC1(CCN)CCNCC1
InChIInChI=1S/C8H18N2.CH2O/c1-8(2-5-9)3-6-10-7-4-8;1-2/h10H,2-7,9H2,1H3;1H2
InChIKeyCZHDBRZMEFUOPS-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.54
Rot. Bonds2

About formaldehyde;2-(4-methylpiperidin-4-yl)ethanamine

formaldehyde;2-(4-methylpiperidin-4-yl)ethanamine (PubChem CID 143596022) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is formaldehyde;2-(4-methylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound Nameformaldehyde;2-(4-methylpiperidin-4-yl)ethanamine
PubChem CID143596022
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Nameformaldehyde;2-(4-methylpiperidin-4-yl)ethanamine
SMILESC=O.CC1(CCN)CCNCC1
InChIInChI=1S/C8H18N2.CH2O/c1-8(2-5-9)3-6-10-7-4-8;1-2/h10H,2-7,9H2,1H3;1H2
InChIKeyCZHDBRZMEFUOPS-UHFFFAOYSA-N
XLogP0.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylcyclobutyl)ethanamine;hydrochloride
CID 55284653
2-(4-fluoropiperidin-4-yl)ethanamine
CID 84731210
(4-methylpiperidin-4-yl)methanol
CID 22507737
2-(4-methylpiperidin-4-yl)acetaldehyde
CID 59311929
2-[4-(fluoromethyl)piperidin-4-yl]ethanamine
CID 115012569
4-methyl-4-(2-methylpropyl)piperidine
CID 63156339
3-methyl-3-propylpyrrolidine
CID 22393542
4-ethyl-4-methylazepane
CID 55299291
(3S)-3-methyl-3-propylpyrrolidine
CID 94411768
ethane;2-(4-methylpiperidin-4-yl)acetonitrile
CID 144903240
tert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate
CID 66660873
6,6-dimethyl-1,4-diazocane
CID 139442519

Frequently Asked Questions

What is the IUPAC name of formaldehyde;2-(4-methylpiperidin-4-yl)ethanamine?
The IUPAC name of formaldehyde;2-(4-methylpiperidin-4-yl)ethanamine (CID 143596022) is formaldehyde;2-(4-methylpiperidin-4-yl)ethanamine.
What is the SMILES notation for formaldehyde;2-(4-methylpiperidin-4-yl)ethanamine?
The canonical SMILES for formaldehyde;2-(4-methylpiperidin-4-yl)ethanamine is C=O.CC1(CCN)CCNCC1.
What is the InChIKey of formaldehyde;2-(4-methylpiperidin-4-yl)ethanamine?
The InChIKey is CZHDBRZMEFUOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.CH2O/c1-8(2-5-9)3-6-10-7-4-8;1-2/h10H,2-7,9H2,1H3;1H2.
What are the key properties of formaldehyde;2-(4-methylpiperidin-4-yl)ethanamine?
formaldehyde;2-(4-methylpiperidin-4-yl)ethanamine has a molecular weight of 172.27 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;2-(4-methylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 143596022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).