1-methoxy-3-[(2-piperidin-2-ylcyclopentyl)amino]propan-2-ol

C14H28N2O2 — CID 79544808

IUPAC1-methoxy-3-[(2-piperidin-2-ylcyclopentyl)amino]propan-2-ol
SMILESCOCC(O)CNC1CCCC1C1CCCCN1
InChIInChI=1S/C14H28N2O2/c1-18-10-11(17)9-16-14-7-4-5-12(14)13-6-2-3-8-15-13/h11-17H,2-10H2,1H3
InChIKeyVWNDDPUHCFANNR-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.89
Rot. Bonds6

About 1-methoxy-3-[(2-piperidin-2-ylcyclopentyl)amino]propan-2-ol

1-methoxy-3-[(2-piperidin-2-ylcyclopentyl)amino]propan-2-ol (PubChem CID 79544808) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-methoxy-3-[(2-piperidin-2-ylcyclopentyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[(2-piperidin-2-ylcyclopentyl)amino]propan-2-ol
PubChem CID79544808
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-methoxy-3-[(2-piperidin-2-ylcyclopentyl)amino]propan-2-ol
SMILESCOCC(O)CNC1CCCC1C1CCCCN1
InChIInChI=1S/C14H28N2O2/c1-18-10-11(17)9-16-14-7-4-5-12(14)13-6-2-3-8-15-13/h11-17H,2-10H2,1H3
InChIKeyVWNDDPUHCFANNR-UHFFFAOYSA-N
XLogP0.89
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[(2-piperidin-2-ylcyclopentyl)amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[(2-piperidin-2-ylcyclopentyl)amino]propan-2-ol (CID 79544808) is 1-methoxy-3-[(2-piperidin-2-ylcyclopentyl)amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[(2-piperidin-2-ylcyclopentyl)amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[(2-piperidin-2-ylcyclopentyl)amino]propan-2-ol is COCC(O)CNC1CCCC1C1CCCCN1.
What is the InChIKey of 1-methoxy-3-[(2-piperidin-2-ylcyclopentyl)amino]propan-2-ol?
The InChIKey is VWNDDPUHCFANNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-18-10-11(17)9-16-14-7-4-5-12(14)13-6-2-3-8-15-13/h11-17H,2-10H2,1H3.
What are the key properties of 1-methoxy-3-[(2-piperidin-2-ylcyclopentyl)amino]propan-2-ol?
1-methoxy-3-[(2-piperidin-2-ylcyclopentyl)amino]propan-2-ol has a molecular weight of 256.39 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[(2-piperidin-2-ylcyclopentyl)amino]propan-2-ol is sourced from PubChem (CID 79544808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).