4-amino-6-[1-[4-(dimethylamino)butyl]piperidin-4-yl]hexane-1,4-diol

C17H37N3O2 — CID 174330194

IUPAC4-amino-6-[1-[4-(dimethylamino)butyl]piperidin-4-yl]hexane-1,4-diol
SMILESCN(C)CCCCN1CCC(CCC(N)(O)CCCO)CC1
InChIInChI=1S/C17H37N3O2/c1-19(2)11-3-4-12-20-13-7-16(8-14-20)6-10-17(18,22)9-5-15-21/h16,21-22H,3-15,18H2,1-2H3
InChIKeyYIMFMCWXHQSBCI-UHFFFAOYSA-N
MW315.50 g/mol
LogP1.24
Rot. Bonds11

About 4-amino-6-[1-[4-(dimethylamino)butyl]piperidin-4-yl]hexane-1,4-diol

4-amino-6-[1-[4-(dimethylamino)butyl]piperidin-4-yl]hexane-1,4-diol (PubChem CID 174330194) has the molecular formula C17H37N3O2 and a molecular weight of 315.50 g/mol. Its IUPAC name is 4-amino-6-[1-[4-(dimethylamino)butyl]piperidin-4-yl]hexane-1,4-diol.

Molecular Properties

Compound Name4-amino-6-[1-[4-(dimethylamino)butyl]piperidin-4-yl]hexane-1,4-diol
PubChem CID174330194
Molecular FormulaC17H37N3O2
Molecular Weight315.50 g/mol
Exact Mass315.29
IUPAC Name4-amino-6-[1-[4-(dimethylamino)butyl]piperidin-4-yl]hexane-1,4-diol
SMILESCN(C)CCCCN1CCC(CCC(N)(O)CCCO)CC1
InChIInChI=1S/C17H37N3O2/c1-19(2)11-3-4-12-20-13-7-16(8-14-20)6-10-17(18,22)9-5-15-21/h16,21-22H,3-15,18H2,1-2H3
InChIKeyYIMFMCWXHQSBCI-UHFFFAOYSA-N
XLogP1.24
TPSA72.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[[1-[3-(dimethylamino)propyl]piperidin-4-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 54060629
3-[1-(2-aminoethyl)piperidin-4-yl]-N,N-dimethylpropan-1-amine
CID 19845999
4-(4-octylpiperidin-1-yl)butan-1-ol
CID 71395098
4-(4-nonylpiperidin-1-yl)butan-1-ol
CID 71395100
4-(4-octylpiperidin-1-yl)butan-1-ol;hydrochloride
CID 71395097
5-(4-hexylpiperidin-1-yl)pentan-1-ol;hydrochloride
CID 23328916
N,N-dimethyl-3-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-amine
CID 114526027
6-[4-(hydroxymethyl)piperidin-1-yl]hexan-1-ol
CID 103737785
6-(4-aminopiperidin-1-yl)hexan-1-ol
CID 70276836
4-[4-(6-methylheptyl)piperidin-1-yl]butan-1-ol
CID 71395080
1-[3-(dimethylamino)propyl]piperidin-4-ol
CID 82075263
3-[3-(2-chloroethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
CID 114800653

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[1-[4-(dimethylamino)butyl]piperidin-4-yl]hexane-1,4-diol?
The IUPAC name of 4-amino-6-[1-[4-(dimethylamino)butyl]piperidin-4-yl]hexane-1,4-diol (CID 174330194) is 4-amino-6-[1-[4-(dimethylamino)butyl]piperidin-4-yl]hexane-1,4-diol.
What is the SMILES notation for 4-amino-6-[1-[4-(dimethylamino)butyl]piperidin-4-yl]hexane-1,4-diol?
The canonical SMILES for 4-amino-6-[1-[4-(dimethylamino)butyl]piperidin-4-yl]hexane-1,4-diol is CN(C)CCCCN1CCC(CCC(N)(O)CCCO)CC1.
What is the InChIKey of 4-amino-6-[1-[4-(dimethylamino)butyl]piperidin-4-yl]hexane-1,4-diol?
The InChIKey is YIMFMCWXHQSBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O2/c1-19(2)11-3-4-12-20-13-7-16(8-14-20)6-10-17(18,22)9-5-15-21/h16,21-22H,3-15,18H2,1-2H3.
What are the key properties of 4-amino-6-[1-[4-(dimethylamino)butyl]piperidin-4-yl]hexane-1,4-diol?
4-amino-6-[1-[4-(dimethylamino)butyl]piperidin-4-yl]hexane-1,4-diol has a molecular weight of 315.50 g/mol, XLogP of 1.24, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[1-[4-(dimethylamino)butyl]piperidin-4-yl]hexane-1,4-diol is sourced from PubChem (CID 174330194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).