(2S)-3-methyl-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-1-ol

C15H30N2O — CID 79254177

IUPAC(2S)-3-methyl-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-1-ol
SMILESCC(C)=CCN1CCC(N[C@H](CO)C(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-12(2)5-8-17-9-6-14(7-10-17)16-15(11-18)13(3)4/h5,13-16,18H,6-11H2,1-4H3/t15-/m1/s1
InChIKeyQKQPHTINCIYMNF-OAHLLOKOSA-N
MW254.42 g/mol
LogP2.02
Rot. Bonds6

About (2S)-3-methyl-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-1-ol

(2S)-3-methyl-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-1-ol (PubChem CID 79254177) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is (2S)-3-methyl-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-3-methyl-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-1-ol
PubChem CID79254177
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name(2S)-3-methyl-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-1-ol
SMILESCC(C)=CCN1CCC(N[C@H](CO)C(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-12(2)5-8-17-9-6-14(7-10-17)16-15(11-18)13(3)4/h5,13-16,18H,6-11H2,1-4H3/t15-/m1/s1
InChIKeyQKQPHTINCIYMNF-OAHLLOKOSA-N
XLogP2.02
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-1-ol?
The IUPAC name of (2S)-3-methyl-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-1-ol (CID 79254177) is (2S)-3-methyl-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for (2S)-3-methyl-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-1-ol?
The canonical SMILES for (2S)-3-methyl-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-1-ol is CC(C)=CCN1CCC(N[C@H](CO)C(C)C)CC1.
What is the InChIKey of (2S)-3-methyl-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-1-ol?
The InChIKey is QKQPHTINCIYMNF-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12(2)5-8-17-9-6-14(7-10-17)16-15(11-18)13(3)4/h5,13-16,18H,6-11H2,1-4H3/t15-/m1/s1.
What are the key properties of (2S)-3-methyl-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-1-ol?
(2S)-3-methyl-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-1-ol has a molecular weight of 254.42 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 79254177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).