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

C13H26N2O2 — CID 60909850

IUPAC1-(cyclopropylmethoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
SMILESCN1CCC(NCC(O)COCC2CC2)CC1
InChIInChI=1S/C13H26N2O2/c1-15-6-4-12(5-7-15)14-8-13(16)10-17-9-11-2-3-11/h11-14,16H,2-10H2,1H3
InChIKeyMMWZDADDHWRMML-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.46
Rot. Bonds7

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

1-(cyclopropylmethoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol (PubChem CID 60909850) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
PubChem CID60909850
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(cyclopropylmethoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
SMILESCN1CCC(NCC(O)COCC2CC2)CC1
InChIInChI=1S/C13H26N2O2/c1-15-6-4-12(5-7-15)14-8-13(16)10-17-9-11-2-3-11/h11-14,16H,2-10H2,1H3
InChIKeyMMWZDADDHWRMML-UHFFFAOYSA-N
XLogP0.46
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylmethoxy)-3-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 81334318
1-hexoxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 60909698
1-[(1-methylpiperidin-4-yl)amino]-3-octoxypropan-2-ol
CID 60909696
1-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 60909990
1-(cyclopropylmethoxy)-3-(thian-4-ylamino)propan-2-ol
CID 110911162
1-(cyclopropylmethoxy)-3-[(3,4-dimethylcyclohexyl)amino]propan-2-ol
CID 64742863
4,4-dimethyl-1-[(1-methylpiperidin-4-yl)amino]pentan-2-ol
CID 91662929
1-[(1-methylpiperidin-4-yl)amino]pentan-2-ol
CID 115676989
1-[(1-methylpyrrolidin-3-yl)amino]-3-phenylmethoxypropan-2-ol
CID 61462412
1-(cyclopropylamino)-3-ethoxypropan-2-ol
CID 43166145
4,4-dimethyl-1-[(1-methylazepan-4-yl)amino]pentan-2-ol
CID 103859816
1-[(1-methylpiperidin-4-yl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 60910129

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol?
The IUPAC name of 1-(cyclopropylmethoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol (CID 60909850) is 1-(cyclopropylmethoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol is CN1CCC(NCC(O)COCC2CC2)CC1.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol?
The InChIKey is MMWZDADDHWRMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-15-6-4-12(5-7-15)14-8-13(16)10-17-9-11-2-3-11/h11-14,16H,2-10H2,1H3.
What are the key properties of 1-(cyclopropylmethoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol?
1-(cyclopropylmethoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol has a molecular weight of 242.36 g/mol, XLogP of 0.46, 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-methylpiperidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 60909850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).