2-[methyl-[(2S)-2-[(1-piperidin-1-ylcyclohexyl)methylamino]propyl]amino]ethanol

C18H37N3O — CID 171359740

IUPAC2-[methyl-[(2S)-2-[(1-piperidin-1-ylcyclohexyl)methylamino]propyl]amino]ethanol
SMILESC[C@@H](CN(C)CCO)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C18H37N3O/c1-17(15-20(2)13-14-22)19-16-18(9-5-3-6-10-18)21-11-7-4-8-12-21/h17,19,22H,3-16H2,1-2H3/t17-/m0/s1
InChIKeyVDCLSEGFFNKVSB-KRWDZBQOSA-N
MW311.51 g/mol
LogP2.08
Rot. Bonds8

About 2-[methyl-[(2S)-2-[(1-piperidin-1-ylcyclohexyl)methylamino]propyl]amino]ethanol

2-[methyl-[(2S)-2-[(1-piperidin-1-ylcyclohexyl)methylamino]propyl]amino]ethanol (PubChem CID 171359740) has the molecular formula C18H37N3O and a molecular weight of 311.51 g/mol. Its IUPAC name is 2-[methyl-[(2S)-2-[(1-piperidin-1-ylcyclohexyl)methylamino]propyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[(2S)-2-[(1-piperidin-1-ylcyclohexyl)methylamino]propyl]amino]ethanol
PubChem CID171359740
Molecular FormulaC18H37N3O
Molecular Weight311.51 g/mol
Exact Mass311.29
IUPAC Name2-[methyl-[(2S)-2-[(1-piperidin-1-ylcyclohexyl)methylamino]propyl]amino]ethanol
SMILESC[C@@H](CN(C)CCO)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C18H37N3O/c1-17(15-20(2)13-14-22)19-16-18(9-5-3-6-10-18)21-11-7-4-8-12-21/h17,19,22H,3-16H2,1-2H3/t17-/m0/s1
InChIKeyVDCLSEGFFNKVSB-KRWDZBQOSA-N
XLogP2.08
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-morpholin-4-ylcyclohexyl)methyl]cycloheptanamine
CID 75401952
2-[methyl-[(2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]amino]ethanol
CID 171359648
2-((2-(N-(2,2,6,6-Tetramethyl-4-piperidyl))aminoethyl)amino)ethanol
CID 3020657
2-[3-(Cyclohexylmethylamino)-5-(2,2,2-trifluoroethyl)piperidin-1-yl]ethanol
CID 83998935
2-[(1,2,2,6,6-Pentamethylpiperidin-4-yl)amino]ethanol
CID 19073309
2-(4-Amino-2-ethyl-2,3-dimethyl-1-azaspiro[5.5]undecan-1-yl)ethanol
CID 20270969
2-[2,2,6,6-Tetramethyl-4-(methylamino)piperidin-1-yl]ethanol
CID 20317224
[2-Hydroxy-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-(2-methylbutyl)azanium
CID 20730080
2-(2-Dodecylpiperazin-1-yl)ethanol
CID 21242415
1-[2-(2-Hexylcyclohexyl)piperazin-1-yl]ethanol
CID 21242420
1-(2-Cyclohexylpiperazin-1-yl)ethanol
CID 21242424
2-[[4-(Dimethylamino)-1-piperidin-4-ylbutyl]-(2-hydroxyethyl)amino]ethanol
CID 21967232

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2S)-2-[(1-piperidin-1-ylcyclohexyl)methylamino]propyl]amino]ethanol?
The IUPAC name of 2-[methyl-[(2S)-2-[(1-piperidin-1-ylcyclohexyl)methylamino]propyl]amino]ethanol (CID 171359740) is 2-[methyl-[(2S)-2-[(1-piperidin-1-ylcyclohexyl)methylamino]propyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[(2S)-2-[(1-piperidin-1-ylcyclohexyl)methylamino]propyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[(2S)-2-[(1-piperidin-1-ylcyclohexyl)methylamino]propyl]amino]ethanol is C[C@@H](CN(C)CCO)NCC1(N2CCCCC2)CCCCC1.
What is the InChIKey of 2-[methyl-[(2S)-2-[(1-piperidin-1-ylcyclohexyl)methylamino]propyl]amino]ethanol?
The InChIKey is VDCLSEGFFNKVSB-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H37N3O/c1-17(15-20(2)13-14-22)19-16-18(9-5-3-6-10-18)21-11-7-4-8-12-21/h17,19,22H,3-16H2,1-2H3/t17-/m0/s1.
What are the key properties of 2-[methyl-[(2S)-2-[(1-piperidin-1-ylcyclohexyl)methylamino]propyl]amino]ethanol?
2-[methyl-[(2S)-2-[(1-piperidin-1-ylcyclohexyl)methylamino]propyl]amino]ethanol has a molecular weight of 311.51 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2S)-2-[(1-piperidin-1-ylcyclohexyl)methylamino]propyl]amino]ethanol is sourced from PubChem (CID 171359740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).