2-[(1-methylpiperidin-2-yl)methyl]prop-2-enal

C10H17NO — CID 117266799

IUPAC2-[(1-methylpiperidin-2-yl)methyl]prop-2-enal
SMILESC=C(C=O)CC1CCCCN1C
InChIInChI=1S/C10H17NO/c1-9(8-12)7-10-5-3-4-6-11(10)2/h8,10H,1,3-7H2,2H3
InChIKeyBPCHRYZWPYMCBO-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.62
Rot. Bonds3

About 2-[(1-methylpiperidin-2-yl)methyl]prop-2-enal

2-[(1-methylpiperidin-2-yl)methyl]prop-2-enal (PubChem CID 117266799) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-[(1-methylpiperidin-2-yl)methyl]prop-2-enal.

Molecular Properties

Compound Name2-[(1-methylpiperidin-2-yl)methyl]prop-2-enal
PubChem CID117266799
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-[(1-methylpiperidin-2-yl)methyl]prop-2-enal
SMILESC=C(C=O)CC1CCCCN1C
InChIInChI=1S/C10H17NO/c1-9(8-12)7-10-5-3-4-6-11(10)2/h8,10H,1,3-7H2,2H3
InChIKeyBPCHRYZWPYMCBO-UHFFFAOYSA-N
XLogP1.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-(2-methylbut-2-enyl)piperidine
CID 91142338
1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
CID 54394556
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-2-yl)ethanone
CID 110849813
ethane;1-(1-methylpyrrolidin-2-yl)propan-2-one
CID 91473977
1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one;hydrochloride
CID 46242410
N-tert-butyl-2-(1-methylpiperidin-2-yl)acetamide
CID 110855384
tert-butyl 2-[(2S)-1-methylpiperidin-2-yl]acetate
CID 134905805
2-(1-methylpyrrolidin-2-yl)acetamide;hydrochloride
CID 67492380
1-(1-methylazepan-2-yl)propan-2-ol
CID 114338740
(Z)-5-(1-methylpiperidin-2-yl)pent-3-enal
CID 117267742
(1-methylpyrrolidin-2-yl)methanol;yttrium
CID 164903793

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperidin-2-yl)methyl]prop-2-enal?
The IUPAC name of 2-[(1-methylpiperidin-2-yl)methyl]prop-2-enal (CID 117266799) is 2-[(1-methylpiperidin-2-yl)methyl]prop-2-enal.
What is the SMILES notation for 2-[(1-methylpiperidin-2-yl)methyl]prop-2-enal?
The canonical SMILES for 2-[(1-methylpiperidin-2-yl)methyl]prop-2-enal is C=C(C=O)CC1CCCCN1C.
What is the InChIKey of 2-[(1-methylpiperidin-2-yl)methyl]prop-2-enal?
The InChIKey is BPCHRYZWPYMCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-9(8-12)7-10-5-3-4-6-11(10)2/h8,10H,1,3-7H2,2H3.
What are the key properties of 2-[(1-methylpiperidin-2-yl)methyl]prop-2-enal?
2-[(1-methylpiperidin-2-yl)methyl]prop-2-enal has a molecular weight of 167.25 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpiperidin-2-yl)methyl]prop-2-enal is sourced from PubChem (CID 117266799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).