(2S)-2-[(4-methylpiperazin-1-yl)methyl]-4-[[1-(2-methylpropyl)cyclopropyl]methyl]morpholine

C18H35N3O — CID 174349776

IUPAC(2S)-2-[(4-methylpiperazin-1-yl)methyl]-4-[[1-(2-methylpropyl)cyclopropyl]methyl]morpholine
SMILESCC(C)CC1(CN2CCO[C@@H](CN3CCN(C)CC3)C2)CC1
InChIInChI=1S/C18H35N3O/c1-16(2)12-18(4-5-18)15-21-10-11-22-17(14-21)13-20-8-6-19(3)7-9-20/h16-17H,4-15H2,1-3H3/t17-/m0/s1
InChIKeySDZAHRZZMSNGRT-KRWDZBQOSA-N
MW309.50 g/mol
LogP1.76
Rot. Bonds6

About (2S)-2-[(4-methylpiperazin-1-yl)methyl]-4-[[1-(2-methylpropyl)cyclopropyl]methyl]morpholine

(2S)-2-[(4-methylpiperazin-1-yl)methyl]-4-[[1-(2-methylpropyl)cyclopropyl]methyl]morpholine (PubChem CID 174349776) has the molecular formula C18H35N3O and a molecular weight of 309.50 g/mol. Its IUPAC name is (2S)-2-[(4-methylpiperazin-1-yl)methyl]-4-[[1-(2-methylpropyl)cyclopropyl]methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(4-methylpiperazin-1-yl)methyl]-4-[[1-(2-methylpropyl)cyclopropyl]methyl]morpholine
PubChem CID174349776
Molecular FormulaC18H35N3O
Molecular Weight309.50 g/mol
Exact Mass309.28
IUPAC Name(2S)-2-[(4-methylpiperazin-1-yl)methyl]-4-[[1-(2-methylpropyl)cyclopropyl]methyl]morpholine
SMILESCC(C)CC1(CN2CCO[C@@H](CN3CCN(C)CC3)C2)CC1
InChIInChI=1S/C18H35N3O/c1-16(2)12-18(4-5-18)15-21-10-11-22-17(14-21)13-20-8-6-19(3)7-9-20/h16-17H,4-15H2,1-3H3/t17-/m0/s1
InChIKeySDZAHRZZMSNGRT-KRWDZBQOSA-N
XLogP1.76
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-methylpiperazin-1-yl)methyl]-3-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane
CID 174276566
(1S,4R,5R)-5-[(4-methylpiperazin-1-yl)methyl]-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-azabicyclo[2.2.1]heptane
CID 174276432
4-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1,4-oxazepane
CID 54379759
2-[(3,5-dimethylpiperazin-1-yl)methyl]-4-(2-methylpropyl)morpholine
CID 63871997
1-butan-2-yl-4-[[(3R)-1-[[1-(2-methylpropyl)cyclopropyl]methyl]pyrrolidin-3-yl]methyl]piperazine
CID 174276613
(3R)-3-methyl-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidine
CID 167196358
3-[[1-(2-methylpropyl)cyclopropyl]methyl]-8-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-azabicyclo[3.2.1]octane
CID 171748388
7-methyl-2-[[1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane
CID 174349945
[4-[[4-(2-methylpropyl)morpholin-2-yl]methyl]morpholin-2-yl]methanamine
CID 114398613
2-[4-[(4-ethylmorpholin-2-yl)methyl]piperazin-1-yl]ethanamine
CID 79165951
2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane
CID 174276720
[4-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperazin-2-yl]methanamine
CID 80506904

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methylpiperazin-1-yl)methyl]-4-[[1-(2-methylpropyl)cyclopropyl]methyl]morpholine?
The IUPAC name of (2S)-2-[(4-methylpiperazin-1-yl)methyl]-4-[[1-(2-methylpropyl)cyclopropyl]methyl]morpholine (CID 174349776) is (2S)-2-[(4-methylpiperazin-1-yl)methyl]-4-[[1-(2-methylpropyl)cyclopropyl]methyl]morpholine.
What is the SMILES notation for (2S)-2-[(4-methylpiperazin-1-yl)methyl]-4-[[1-(2-methylpropyl)cyclopropyl]methyl]morpholine?
The canonical SMILES for (2S)-2-[(4-methylpiperazin-1-yl)methyl]-4-[[1-(2-methylpropyl)cyclopropyl]methyl]morpholine is CC(C)CC1(CN2CCO[C@@H](CN3CCN(C)CC3)C2)CC1.
What is the InChIKey of (2S)-2-[(4-methylpiperazin-1-yl)methyl]-4-[[1-(2-methylpropyl)cyclopropyl]methyl]morpholine?
The InChIKey is SDZAHRZZMSNGRT-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H35N3O/c1-16(2)12-18(4-5-18)15-21-10-11-22-17(14-21)13-20-8-6-19(3)7-9-20/h16-17H,4-15H2,1-3H3/t17-/m0/s1.
What are the key properties of (2S)-2-[(4-methylpiperazin-1-yl)methyl]-4-[[1-(2-methylpropyl)cyclopropyl]methyl]morpholine?
(2S)-2-[(4-methylpiperazin-1-yl)methyl]-4-[[1-(2-methylpropyl)cyclopropyl]methyl]morpholine has a molecular weight of 309.50 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methylpiperazin-1-yl)methyl]-4-[[1-(2-methylpropyl)cyclopropyl]methyl]morpholine is sourced from PubChem (CID 174349776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).