4-[[[1-(1-aminopropan-2-yl)piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol

C16H33N3O — CID 57292486

IUPAC4-[[[1-(1-aminopropan-2-yl)piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol
SMILESCC(CN)N1CCCCC1CNCC1CCC(O)CC1
InChIInChI=1S/C16H33N3O/c1-13(10-17)19-9-3-2-4-15(19)12-18-11-14-5-7-16(20)8-6-14/h13-16,18,20H,2-12,17H2,1H3
InChIKeyZVUZNHXICQSKSL-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.33
Rot. Bonds6

About 4-[[[1-(1-aminopropan-2-yl)piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol

4-[[[1-(1-aminopropan-2-yl)piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol (PubChem CID 57292486) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 4-[[[1-(1-aminopropan-2-yl)piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[[1-(1-aminopropan-2-yl)piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol
PubChem CID57292486
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name4-[[[1-(1-aminopropan-2-yl)piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol
SMILESCC(CN)N1CCCCC1CNCC1CCC(O)CC1
InChIInChI=1S/C16H33N3O/c1-13(10-17)19-9-3-2-4-15(19)12-18-11-14-5-7-16(20)8-6-14/h13-16,18,20H,2-12,17H2,1H3
InChIKeyZVUZNHXICQSKSL-UHFFFAOYSA-N
XLogP1.33
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(1-aminopropan-2-yl)piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[[1-(1-aminopropan-2-yl)piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol (CID 57292486) is 4-[[[1-(1-aminopropan-2-yl)piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[[1-(1-aminopropan-2-yl)piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[[1-(1-aminopropan-2-yl)piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol is CC(CN)N1CCCCC1CNCC1CCC(O)CC1.
What is the InChIKey of 4-[[[1-(1-aminopropan-2-yl)piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol?
The InChIKey is ZVUZNHXICQSKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-13(10-17)19-9-3-2-4-15(19)12-18-11-14-5-7-16(20)8-6-14/h13-16,18,20H,2-12,17H2,1H3.
What are the key properties of 4-[[[1-(1-aminopropan-2-yl)piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol?
4-[[[1-(1-aminopropan-2-yl)piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol has a molecular weight of 283.46 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(1-aminopropan-2-yl)piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 57292486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).