1-[[(1-hydroxy-3-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexan-1-ol

C15H30N2O2 — CID 102274740

IUPAC1-[[(1-hydroxy-3-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexan-1-ol
SMILESOCC(CN1CCCCC1)NCC1(O)CCCCC1
InChIInChI=1S/C15H30N2O2/c18-12-14(11-17-9-5-2-6-10-17)16-13-15(19)7-3-1-4-8-15/h14,16,18-19H,1-13H2
InChIKeyYMINVQFYACOING-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.12
Rot. Bonds6

About 1-[[(1-hydroxy-3-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexan-1-ol

1-[[(1-hydroxy-3-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 102274740) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-[[(1-hydroxy-3-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(1-hydroxy-3-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexan-1-ol
PubChem CID102274740
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-[[(1-hydroxy-3-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexan-1-ol
SMILESOCC(CN1CCCCC1)NCC1(O)CCCCC1
InChIInChI=1S/C15H30N2O2/c18-12-14(11-17-9-5-2-6-10-17)16-13-15(19)7-3-1-4-8-15/h14,16,18-19H,1-13H2
InChIKeyYMINVQFYACOING-UHFFFAOYSA-N
XLogP1.12
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol
CID 106190470
2-(propylamino)-3-pyrrolidin-1-ylpropan-1-ol
CID 64796269
3-(3-azaspiro[5.5]undecan-3-yl)-2-(propylamino)propan-1-ol
CID 64791856
1-[(hex-5-yn-3-ylamino)methyl]cyclohexan-1-ol
CID 115663853
2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol
CID 107911684
1-[(pentan-3-ylamino)methyl]cyclobutan-1-ol
CID 115692707
1-[(1-hydroxypropan-2-ylamino)methyl]cyclobutan-1-ol
CID 130502696
4-hydroxy-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 106499295
2-(ethylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-ol
CID 64791676
2-(1-hydroxycyclopentyl)-N-(1-piperidin-1-ylpropan-2-yl)acetamide
CID 111430549
N-[(1-hydroxycyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 79209328
2-[(1-hydroxycyclopentyl)methylamino]propanoic acid
CID 65108936

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-hydroxy-3-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(1-hydroxy-3-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexan-1-ol (CID 102274740) is 1-[[(1-hydroxy-3-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(1-hydroxy-3-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(1-hydroxy-3-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexan-1-ol is OCC(CN1CCCCC1)NCC1(O)CCCCC1.
What is the InChIKey of 1-[[(1-hydroxy-3-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is YMINVQFYACOING-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c18-12-14(11-17-9-5-2-6-10-17)16-13-15(19)7-3-1-4-8-15/h14,16,18-19H,1-13H2.
What are the key properties of 1-[[(1-hydroxy-3-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexan-1-ol?
1-[[(1-hydroxy-3-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 270.42 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-hydroxy-3-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 102274740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).