1-methyl-4-[(6-methylhept-5-en-2-ylamino)methyl]piperidin-4-ol

C15H30N2O — CID 131903414

IUPAC1-methyl-4-[(6-methylhept-5-en-2-ylamino)methyl]piperidin-4-ol
SMILESCC(C)=CCCC(C)NCC1(O)CCN(C)CC1
InChIInChI=1S/C15H30N2O/c1-13(2)6-5-7-14(3)16-12-15(18)8-10-17(4)11-9-15/h6,14,16,18H,5,7-12H2,1-4H3
InChIKeyVQMDCPRZASWERM-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.17
Rot. Bonds6

About 1-methyl-4-[(6-methylhept-5-en-2-ylamino)methyl]piperidin-4-ol

1-methyl-4-[(6-methylhept-5-en-2-ylamino)methyl]piperidin-4-ol (PubChem CID 131903414) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-methyl-4-[(6-methylhept-5-en-2-ylamino)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-methyl-4-[(6-methylhept-5-en-2-ylamino)methyl]piperidin-4-ol
PubChem CID131903414
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-methyl-4-[(6-methylhept-5-en-2-ylamino)methyl]piperidin-4-ol
SMILESCC(C)=CCCC(C)NCC1(O)CCN(C)CC1
InChIInChI=1S/C15H30N2O/c1-13(2)6-5-7-14(3)16-12-15(18)8-10-17(4)11-9-15/h6,14,16,18H,5,7-12H2,1-4H3
InChIKeyVQMDCPRZASWERM-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
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

4-[(1-methoxypropan-2-ylamino)methyl]-1-methylpiperidin-4-ol
CID 131936935
(2R)-6-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]hept-5-en-2-amine
CID 97231847
1-[(hex-5-en-2-ylamino)methyl]cycloheptan-1-ol
CID 104582555
[1-(6-methylhept-5-en-2-ylamino)cyclopropyl]methanol
CID 115929605
(2R)-1-(6-methylhept-5-en-2-ylamino)propan-2-ol
CID 103906843
(3S)-3-[[[(2R)-hex-5-en-2-yl]amino]methyl]thiolan-3-ol
CID 99636838
(2R)-N-butyl-6-methylhept-5-en-2-amine
CID 121451100
1-[(hexan-2-ylamino)methyl]cyclopentan-1-ol
CID 65105584
1-[4-hydroxy-4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 39243445
(2S)-N-[(1,1-dioxothian-4-yl)methyl]-6-methylhept-5-en-2-amine
CID 39782154
(4-hydroxy-1-methylpiperidin-4-yl)methylurea
CID 67593720
6-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]hept-5-en-2-amine
CID 115897311

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(6-methylhept-5-en-2-ylamino)methyl]piperidin-4-ol?
The IUPAC name of 1-methyl-4-[(6-methylhept-5-en-2-ylamino)methyl]piperidin-4-ol (CID 131903414) is 1-methyl-4-[(6-methylhept-5-en-2-ylamino)methyl]piperidin-4-ol.
What is the SMILES notation for 1-methyl-4-[(6-methylhept-5-en-2-ylamino)methyl]piperidin-4-ol?
The canonical SMILES for 1-methyl-4-[(6-methylhept-5-en-2-ylamino)methyl]piperidin-4-ol is CC(C)=CCCC(C)NCC1(O)CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[(6-methylhept-5-en-2-ylamino)methyl]piperidin-4-ol?
The InChIKey is VQMDCPRZASWERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13(2)6-5-7-14(3)16-12-15(18)8-10-17(4)11-9-15/h6,14,16,18H,5,7-12H2,1-4H3.
What are the key properties of 1-methyl-4-[(6-methylhept-5-en-2-ylamino)methyl]piperidin-4-ol?
1-methyl-4-[(6-methylhept-5-en-2-ylamino)methyl]piperidin-4-ol has a molecular weight of 254.42 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(6-methylhept-5-en-2-ylamino)methyl]piperidin-4-ol is sourced from PubChem (CID 131903414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).