4-(methylaminomethyl)-1-pentylpiperidin-4-ol

C12H26N2O — CID 95441823

IUPAC4-(methylaminomethyl)-1-pentylpiperidin-4-ol
SMILESCCCCCN1CCC(O)(CNC)CC1
InChIInChI=1S/C12H26N2O/c1-3-4-5-8-14-9-6-12(15,7-10-14)11-13-2/h13,15H,3-11H2,1-2H3
InChIKeyDHZBKIZKALZWGS-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.22
Rot. Bonds6

About 4-(methylaminomethyl)-1-pentylpiperidin-4-ol

4-(methylaminomethyl)-1-pentylpiperidin-4-ol (PubChem CID 95441823) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-(methylaminomethyl)-1-pentylpiperidin-4-ol.

Molecular Properties

Compound Name4-(methylaminomethyl)-1-pentylpiperidin-4-ol
PubChem CID95441823
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name4-(methylaminomethyl)-1-pentylpiperidin-4-ol
SMILESCCCCCN1CCC(O)(CNC)CC1
InChIInChI=1S/C12H26N2O/c1-3-4-5-8-14-9-6-12(15,7-10-14)11-13-2/h13,15H,3-11H2,1-2H3
InChIKeyDHZBKIZKALZWGS-UHFFFAOYSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-4,4-dimethylpiperidine
CID 18722930
4,4-difluoro-1-heptylpiperidine
CID 138507375
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
4-ethyl-1-propylpiperidin-4-ol
CID 60895499
(4-nonylpiperazin-1-yl)methanol
CID 574800
1-(4-amino-4-pentylnonyl)-4-pentylpiperidin-4-ol
CID 70353626
2,8-dipentyl-2,8-diazaspiro[4.5]decane;ethane
CID 156829992
4-(methylaminomethyl)-1-propan-2-ylpiperidin-4-ol
CID 39237893
4,4-dimethyl-1-pentylazepane
CID 18723213
1-hexyl-4-methylpiperidin-4-amine
CID 142516140
2-ethyl-1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 39347040

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-1-pentylpiperidin-4-ol?
The IUPAC name of 4-(methylaminomethyl)-1-pentylpiperidin-4-ol (CID 95441823) is 4-(methylaminomethyl)-1-pentylpiperidin-4-ol.
What is the SMILES notation for 4-(methylaminomethyl)-1-pentylpiperidin-4-ol?
The canonical SMILES for 4-(methylaminomethyl)-1-pentylpiperidin-4-ol is CCCCCN1CCC(O)(CNC)CC1.
What is the InChIKey of 4-(methylaminomethyl)-1-pentylpiperidin-4-ol?
The InChIKey is DHZBKIZKALZWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-4-5-8-14-9-6-12(15,7-10-14)11-13-2/h13,15H,3-11H2,1-2H3.
What are the key properties of 4-(methylaminomethyl)-1-pentylpiperidin-4-ol?
4-(methylaminomethyl)-1-pentylpiperidin-4-ol has a molecular weight of 214.35 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-1-pentylpiperidin-4-ol is sourced from PubChem (CID 95441823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).