1-(cyclopropylmethoxy)-3-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol

C14H28N2O2 — CID 81334318

IUPAC1-(cyclopropylmethoxy)-3-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol
SMILESCC1CC(NCC(O)COCC2CC2)CCN1C
InChIInChI=1S/C14H28N2O2/c1-11-7-13(5-6-16(11)2)15-8-14(17)10-18-9-12-3-4-12/h11-15,17H,3-10H2,1-2H3
InChIKeyNUYAIMKMAHALIY-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.85
Rot. Bonds7

About 1-(cyclopropylmethoxy)-3-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol

1-(cyclopropylmethoxy)-3-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol (PubChem CID 81334318) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol
PubChem CID81334318
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-(cyclopropylmethoxy)-3-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol
SMILESCC1CC(NCC(O)COCC2CC2)CCN1C
InChIInChI=1S/C14H28N2O2/c1-11-7-13(5-6-16(11)2)15-8-14(17)10-18-9-12-3-4-12/h11-15,17H,3-10H2,1-2H3
InChIKeyNUYAIMKMAHALIY-UHFFFAOYSA-N
XLogP0.85
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(cyclopropylmethoxy)-3-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol with MolForge

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Related Compounds

1-(cyclopropylmethoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 60909850
1-(cyclopropylmethoxy)-3-[(3,4-dimethylcyclohexyl)amino]propan-2-ol
CID 64742863
(2R)-1-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906841
(2S)-1-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906506
N-[3-(cyclopropylmethoxy)propyl]-1,2-dimethylpiperidin-4-amine
CID 81301163
1-(cyclopropylmethoxy)-3-(thian-4-ylamino)propan-2-ol
CID 110911162
1-butoxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 107263143
methyl 2-acetamido-3-[(1,2-dimethylpiperidin-4-yl)amino]propanoate
CID 103260594
1-(cyclopropylmethoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60633025
1,2-dimethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidin-4-amine
CID 81296513
1-(cyclopropylmethoxy)-3-[(2-ethylcyclohexyl)amino]propan-2-ol
CID 54955680
N-(3-ethylcyclopentyl)-1,2-dimethylpiperidin-4-amine
CID 79032269

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol?
The IUPAC name of 1-(cyclopropylmethoxy)-3-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol (CID 81334318) is 1-(cyclopropylmethoxy)-3-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol is CC1CC(NCC(O)COCC2CC2)CCN1C.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol?
The InChIKey is NUYAIMKMAHALIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11-7-13(5-6-16(11)2)15-8-14(17)10-18-9-12-3-4-12/h11-15,17H,3-10H2,1-2H3.
What are the key properties of 1-(cyclopropylmethoxy)-3-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol?
1-(cyclopropylmethoxy)-3-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol has a molecular weight of 256.39 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-3-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 81334318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).