1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-piperidin-1-ylpropan-2-ol

C22H37N3O3 — CID 72892821

IUPAC1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-piperidin-1-ylpropan-2-ol
SMILESCCN1CCN(Cc2ccc(OC)c(OCC(O)CN3CCCCC3)c2)CC1
InChIInChI=1S/C22H37N3O3/c1-3-23-11-13-25(14-12-23)16-19-7-8-21(27-2)22(15-19)28-18-20(26)17-24-9-5-4-6-10-24/h7-8,15,20,26H,3-6,9-14,16-18H2,1-2H3
InChIKeyNZYWOFUZYRWLIY-UHFFFAOYSA-N
MW391.56 g/mol
LogP2.06
Rot. Bonds9

About 1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-piperidin-1-ylpropan-2-ol

1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-piperidin-1-ylpropan-2-ol (PubChem CID 72892821) has the molecular formula C22H37N3O3 and a molecular weight of 391.56 g/mol. Its IUPAC name is 1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-piperidin-1-ylpropan-2-ol
PubChem CID72892821
Molecular FormulaC22H37N3O3
Molecular Weight391.56 g/mol
Exact Mass391.28
IUPAC Name1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-piperidin-1-ylpropan-2-ol
SMILESCCN1CCN(Cc2ccc(OC)c(OCC(O)CN3CCCCC3)c2)CC1
InChIInChI=1S/C22H37N3O3/c1-3-23-11-13-25(14-12-23)16-19-7-8-21(27-2)22(15-19)28-18-20(26)17-24-9-5-4-6-10-24/h7-8,15,20,26H,3-6,9-14,16-18H2,1-2H3
InChIKeyNZYWOFUZYRWLIY-UHFFFAOYSA-N
XLogP2.06
TPSA48.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-piperidin-1-ylpropan-2-ol with MolForge

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Related Compounds

(2S)-1-(azocan-1-yl)-3-[2-methoxy-5-[(4-propan-2-ylpiperazin-1-yl)methyl]phenoxy]propan-2-ol
CID 28957254
1-(azepan-1-yl)-3-[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenoxy]propan-2-ol
CID 45179895
methyl 4-[[3-[3-(azocan-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl]piperazine-1-carboxylate
CID 172666073
1-[(2S)-3-[4-(azepan-1-ylmethyl)-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol
CID 97276509
1-[[4-[3-(azepan-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]piperidin-4-ol
CID 72870007
1-[5-(azepan-1-ylmethyl)-2-methoxyphenoxy]-3-(3,6-dihydro-2H-pyridin-1-yl)propan-2-ol
CID 175642102
1-[[3-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropoxy]-4-methoxyphenyl]methyl]piperidine-4-carboxamide
CID 97278013
1-[[3-[3-(azocan-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl]piperidine-4-carbonitrile
CID 172661656
4-[[3-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-4-methoxyphenyl]methyl]-1-methylpiperazin-2-one
CID 97276412
(2R)-1-[5-[[4-(2-hydroxyethyl)piperidin-1-yl]methyl]-2-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 97277129
1-(4,4-difluoropiperidin-1-yl)-3-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]propan-2-ol
CID 175641337
(2S)-1-[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 97274291

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-piperidin-1-ylpropan-2-ol (CID 72892821) is 1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-piperidin-1-ylpropan-2-ol is CCN1CCN(Cc2ccc(OC)c(OCC(O)CN3CCCCC3)c2)CC1.
What is the InChIKey of 1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-piperidin-1-ylpropan-2-ol?
The InChIKey is NZYWOFUZYRWLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O3/c1-3-23-11-13-25(14-12-23)16-19-7-8-21(27-2)22(15-19)28-18-20(26)17-24-9-5-4-6-10-24/h7-8,15,20,26H,3-6,9-14,16-18H2,1-2H3.
What are the key properties of 1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-piperidin-1-ylpropan-2-ol?
1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-piperidin-1-ylpropan-2-ol has a molecular weight of 391.56 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 72892821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).