1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-ol

C12H22N2O — CID 103068938

IUPAC1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-ol
SMILESC=C(CNC1CC1)CN1CCC(O)CC1
InChIInChI=1S/C12H22N2O/c1-10(8-13-11-2-3-11)9-14-6-4-12(15)5-7-14/h11-13,15H,1-9H2
InChIKeyMQWRFHZBTXPEOO-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.75
Rot. Bonds5

About 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-ol

1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-ol (PubChem CID 103068938) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-ol
PubChem CID103068938
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-ol
SMILESC=C(CNC1CC1)CN1CCC(O)CC1
InChIInChI=1S/C12H22N2O/c1-10(8-13-11-2-3-11)9-14-6-4-12(15)5-7-14/h11-13,15H,1-9H2
InChIKeyMQWRFHZBTXPEOO-UHFFFAOYSA-N
XLogP0.75
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol
CID 43770605
1-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol
CID 43776273
1-[3-(Cyclopropylamino)propyl]piperidin-4-ol
CID 61386759
1-[3-(Cyclopropylamino)-2,2-dimethylpropyl]piperidin-4-ol
CID 62263336
1-Cyclopropyl-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]ethanol
CID 63295270
1-[3-(Cyclopropylamino)-2-methylpropyl]piperidin-4-ol
CID 64232702
4-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol
CID 64911106
2-Methyl-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol
CID 65031763
3-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]cyclobutan-1-ol
CID 65976406
3-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]butan-1-ol
CID 81338428
[1-[[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 81343571
4-[4-(Cyclopropylamino)piperidin-1-yl]butan-2-ol
CID 84053979

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-ol?
The IUPAC name of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-ol (CID 103068938) is 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-ol is C=C(CNC1CC1)CN1CCC(O)CC1.
What is the InChIKey of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-ol?
The InChIKey is MQWRFHZBTXPEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(8-13-11-2-3-11)9-14-6-4-12(15)5-7-14/h11-13,15H,1-9H2.
What are the key properties of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-ol?
1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-ol has a molecular weight of 210.32 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-ol is sourced from PubChem (CID 103068938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).