1-methyl-4-(2-methylprop-2-enyl)piperidin-1-ium-4-ol

C10H20NO+ — CID 7200437

IUPAC1-methyl-4-(2-methylprop-2-enyl)piperidin-1-ium-4-ol
SMILESC=C(C)CC1(O)CC[NH+](C)CC1
InChIInChI=1S/C10H19NO/c1-9(2)8-10(12)4-6-11(3)7-5-10/h12H,1,4-8H2,2-3H3/p+1
InChIKeyNFQWKGWEOHFCAN-UHFFFAOYSA-O
MW170.28 g/mol
LogP-0.01
Rot. Bonds2

About 1-methyl-4-(2-methylprop-2-enyl)piperidin-1-ium-4-ol

1-methyl-4-(2-methylprop-2-enyl)piperidin-1-ium-4-ol (PubChem CID 7200437) has the molecular formula C10H20NO+ and a molecular weight of 170.28 g/mol. Its IUPAC name is 1-methyl-4-(2-methylprop-2-enyl)piperidin-1-ium-4-ol.

Molecular Properties

Compound Name1-methyl-4-(2-methylprop-2-enyl)piperidin-1-ium-4-ol
PubChem CID7200437
Molecular FormulaC10H20NO+
Molecular Weight170.28 g/mol
Exact Mass170.15
IUPAC Name1-methyl-4-(2-methylprop-2-enyl)piperidin-1-ium-4-ol
SMILESC=C(C)CC1(O)CC[NH+](C)CC1
InChIInChI=1S/C10H19NO/c1-9(2)8-10(12)4-6-11(3)7-5-10/h12H,1,4-8H2,2-3H3/p+1
InChIKeyNFQWKGWEOHFCAN-UHFFFAOYSA-O
XLogP-0.01
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2-(Trifluoromethyl)allyl)piperidin-4-ol
CID 90447583
1-Methyl-4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol
CID 146582360
1-Ethyl-4-(2-methylprop-2-enyl)piperidin-4-ol
CID 819660
1-Methyl-4-(2-methyl-2-propen-1-yl)-4-piperidinol
CID 5200278
4-Prop-1-en-2-ylpiperidin-4-ol
CID 79190995
4-Methoxy-4-(2-methylprop-2-en-1-yl)piperidine
CID 89141975
2-(5-Methylidenepiperidin-3-yl)propan-2-ol
CID 123237499
4-(2-Methylprop-2-en-1-yl)piperidin-4-ol
CID 123241473
4-But-3-enylpiperidin-4-ol
CID 123326470
4-[(2Z)-2-propa-1,2-dienylpenta-2,4-dienyl]piperidin-4-ol
CID 143443361
1-(Hydroxymethyl)-4-(2-methylprop-2-enyl)piperidin-4-ol
CID 144155589
ethane;4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidin-4-ol
CID 144700167

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylprop-2-enyl)piperidin-1-ium-4-ol?
The IUPAC name of 1-methyl-4-(2-methylprop-2-enyl)piperidin-1-ium-4-ol (CID 7200437) is 1-methyl-4-(2-methylprop-2-enyl)piperidin-1-ium-4-ol.
What is the SMILES notation for 1-methyl-4-(2-methylprop-2-enyl)piperidin-1-ium-4-ol?
The canonical SMILES for 1-methyl-4-(2-methylprop-2-enyl)piperidin-1-ium-4-ol is C=C(C)CC1(O)CC[NH+](C)CC1.
What is the InChIKey of 1-methyl-4-(2-methylprop-2-enyl)piperidin-1-ium-4-ol?
The InChIKey is NFQWKGWEOHFCAN-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H19NO/c1-9(2)8-10(12)4-6-11(3)7-5-10/h12H,1,4-8H2,2-3H3/p+1.
What are the key properties of 1-methyl-4-(2-methylprop-2-enyl)piperidin-1-ium-4-ol?
1-methyl-4-(2-methylprop-2-enyl)piperidin-1-ium-4-ol has a molecular weight of 170.28 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylprop-2-enyl)piperidin-1-ium-4-ol is sourced from PubChem (CID 7200437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).