2,2-dimethyl-3-[3-(4-methylpiperidin-1-yl)propylamino]propan-1-ol

C14H30N2O — CID 81413621

IUPAC2,2-dimethyl-3-[3-(4-methylpiperidin-1-yl)propylamino]propan-1-ol
SMILESCC1CCN(CCCNCC(C)(C)CO)CC1
InChIInChI=1S/C14H30N2O/c1-13-5-9-16(10-6-13)8-4-7-15-11-14(2,3)12-17/h13,15,17H,4-12H2,1-3H3
InChIKeyOHCBGRQWGBLDQH-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.72
Rot. Bonds7

About 2,2-dimethyl-3-[3-(4-methylpiperidin-1-yl)propylamino]propan-1-ol

2,2-dimethyl-3-[3-(4-methylpiperidin-1-yl)propylamino]propan-1-ol (PubChem CID 81413621) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2,2-dimethyl-3-[3-(4-methylpiperidin-1-yl)propylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[3-(4-methylpiperidin-1-yl)propylamino]propan-1-ol
PubChem CID81413621
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2,2-dimethyl-3-[3-(4-methylpiperidin-1-yl)propylamino]propan-1-ol
SMILESCC1CCN(CCCNCC(C)(C)CO)CC1
InChIInChI=1S/C14H30N2O/c1-13-5-9-16(10-6-13)8-4-7-15-11-14(2,3)12-17/h13,15,17H,4-12H2,1-3H3
InChIKeyOHCBGRQWGBLDQH-UHFFFAOYSA-N
XLogP1.72
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.72
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

2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)propan-1-ol
CID 81414259
2,2-dimethyl-3-(3-piperidin-1-ylpropylamino)propan-1-ol
CID 81414181
2,2-dimethyl-3-(2-pyrrolidin-1-ylethylamino)propan-1-ol
CID 81413940
3-(4-methylpiperidin-1-yl)-N-(oxan-4-ylmethyl)propan-1-amine
CID 62386835
2-amino-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 61265469
2-amino-2-ethyl-5-(4-methylpiperidin-1-yl)pentan-1-ol
CID 106809046
3-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 113219606
2-methyl-1-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 62989599
3-(4-methylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine
CID 28679951
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111610448
N-[3-(4-methylpiperidin-1-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604980
3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclobutan-1-amine
CID 104859624

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[3-(4-methylpiperidin-1-yl)propylamino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[3-(4-methylpiperidin-1-yl)propylamino]propan-1-ol (CID 81413621) is 2,2-dimethyl-3-[3-(4-methylpiperidin-1-yl)propylamino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[3-(4-methylpiperidin-1-yl)propylamino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[3-(4-methylpiperidin-1-yl)propylamino]propan-1-ol is CC1CCN(CCCNCC(C)(C)CO)CC1.
What is the InChIKey of 2,2-dimethyl-3-[3-(4-methylpiperidin-1-yl)propylamino]propan-1-ol?
The InChIKey is OHCBGRQWGBLDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-13-5-9-16(10-6-13)8-4-7-15-11-14(2,3)12-17/h13,15,17H,4-12H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[3-(4-methylpiperidin-1-yl)propylamino]propan-1-ol?
2,2-dimethyl-3-[3-(4-methylpiperidin-1-yl)propylamino]propan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[3-(4-methylpiperidin-1-yl)propylamino]propan-1-ol is sourced from PubChem (CID 81413621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).