(2S)-2-(methoxymethyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]-4-(4-propan-2-ylcyclohexyl)piperazine

C22H43N3O — CID 176796797

IUPAC(2S)-2-(methoxymethyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]-4-(4-propan-2-ylcyclohexyl)piperazine
SMILESCOC[C@@H]1CN(C2CCC(C(C)C)CC2)CCN1CC1CN(C(C)C)C1
InChIInChI=1S/C22H43N3O/c1-17(2)20-6-8-21(9-7-20)24-11-10-23(22(15-24)16-26-5)12-19-13-25(14-19)18(3)4/h17-22H,6-16H2,1-5H3/t20?,21?,22-/m0/s1
InChIKeyASKKWJNTEHZQMX-HRTMPFAESA-N
MW365.61 g/mol
LogP3.17
Rot. Bonds7

About (2S)-2-(methoxymethyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]-4-(4-propan-2-ylcyclohexyl)piperazine

(2S)-2-(methoxymethyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]-4-(4-propan-2-ylcyclohexyl)piperazine (PubChem CID 176796797) has the molecular formula C22H43N3O and a molecular weight of 365.61 g/mol. Its IUPAC name is (2S)-2-(methoxymethyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]-4-(4-propan-2-ylcyclohexyl)piperazine.

Molecular Properties

Compound Name(2S)-2-(methoxymethyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]-4-(4-propan-2-ylcyclohexyl)piperazine
PubChem CID176796797
Molecular FormulaC22H43N3O
Molecular Weight365.61 g/mol
Exact Mass365.34
IUPAC Name(2S)-2-(methoxymethyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]-4-(4-propan-2-ylcyclohexyl)piperazine
SMILESCOC[C@@H]1CN(C2CCC(C(C)C)CC2)CCN1CC1CN(C(C)C)C1
InChIInChI=1S/C22H43N3O/c1-17(2)20-6-8-21(9-7-20)24-11-10-23(22(15-24)16-26-5)12-19-13-25(14-19)18(3)4/h17-22H,6-16H2,1-5H3/t20?,21?,22-/m0/s1
InChIKeyASKKWJNTEHZQMX-HRTMPFAESA-N
XLogP3.17
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(methoxymethyl)-4-propan-2-yl-1-[(1-propan-2-ylazetidin-3-yl)methyl]piperazine
CID 176725359
[(2R)-2-(methoxymethyl)-4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone
CID 176797111
ethane;1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)piperazine
CID 171508742
[(3S)-3-(methoxymethyl)-4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-(1-propan-2-ylazetidin-3-yl)methanone
CID 176796970
[(3R)-3-(methoxymethyl)-4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-(1-propan-2-ylazetidin-3-yl)methanone
CID 176796835
(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167395488
3-(methoxymethyl)-1,4-di(propan-2-yl)piperidine
CID 171506094
(2R)-4-propan-2-yl-1-[(1-propan-2-ylazetidin-3-yl)methyl]piperazin-2-amine
CID 170184838
(2R)-2-(methoxymethyl)-4-propan-2-yl-1-(1-propan-2-ylazetidin-3-yl)piperazine
CID 176725105
[(3S)-3-(methoxymethyl)-4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone
CID 176796823
methanol;3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 172576332
(2S)-1-(cyclopropylmethyl)-2-(methoxymethyl)pyrrolidine
CID 142484052

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]-4-(4-propan-2-ylcyclohexyl)piperazine?
The IUPAC name of (2S)-2-(methoxymethyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]-4-(4-propan-2-ylcyclohexyl)piperazine (CID 176796797) is (2S)-2-(methoxymethyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]-4-(4-propan-2-ylcyclohexyl)piperazine.
What is the SMILES notation for (2S)-2-(methoxymethyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]-4-(4-propan-2-ylcyclohexyl)piperazine?
The canonical SMILES for (2S)-2-(methoxymethyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]-4-(4-propan-2-ylcyclohexyl)piperazine is COC[C@@H]1CN(C2CCC(C(C)C)CC2)CCN1CC1CN(C(C)C)C1.
What is the InChIKey of (2S)-2-(methoxymethyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]-4-(4-propan-2-ylcyclohexyl)piperazine?
The InChIKey is ASKKWJNTEHZQMX-HRTMPFAESA-N. The full InChI is InChI=1S/C22H43N3O/c1-17(2)20-6-8-21(9-7-20)24-11-10-23(22(15-24)16-26-5)12-19-13-25(14-19)18(3)4/h17-22H,6-16H2,1-5H3/t20?,21?,22-/m0/s1.
What are the key properties of (2S)-2-(methoxymethyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]-4-(4-propan-2-ylcyclohexyl)piperazine?
(2S)-2-(methoxymethyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]-4-(4-propan-2-ylcyclohexyl)piperazine has a molecular weight of 365.61 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]-4-(4-propan-2-ylcyclohexyl)piperazine is sourced from PubChem (CID 176796797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).