[5,5-dimethyl-1-(3-morpholin-4-ylpropyl)piperazin-2-yl]methanol

C14H29N3O2 — CID 82247600

IUPAC[5,5-dimethyl-1-(3-morpholin-4-ylpropyl)piperazin-2-yl]methanol
SMILESCC1(C)CN(CCCN2CCOCC2)C(CO)CN1
InChIInChI=1S/C14H29N3O2/c1-14(2)12-17(13(11-18)10-15-14)5-3-4-16-6-8-19-9-7-16/h13,15,18H,3-12H2,1-2H3
InChIKeyKSFUIPNUQVZPAM-UHFFFAOYSA-N
MW271.40 g/mol
LogP-0.25
Rot. Bonds5

About [5,5-dimethyl-1-(3-morpholin-4-ylpropyl)piperazin-2-yl]methanol

[5,5-dimethyl-1-(3-morpholin-4-ylpropyl)piperazin-2-yl]methanol (PubChem CID 82247600) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is [5,5-dimethyl-1-(3-morpholin-4-ylpropyl)piperazin-2-yl]methanol.

Molecular Properties

Compound Name[5,5-dimethyl-1-(3-morpholin-4-ylpropyl)piperazin-2-yl]methanol
PubChem CID82247600
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name[5,5-dimethyl-1-(3-morpholin-4-ylpropyl)piperazin-2-yl]methanol
SMILESCC1(C)CN(CCCN2CCOCC2)C(CO)CN1
InChIInChI=1S/C14H29N3O2/c1-14(2)12-17(13(11-18)10-15-14)5-3-4-16-6-8-19-9-7-16/h13,15,18H,3-12H2,1-2H3
InChIKeyKSFUIPNUQVZPAM-UHFFFAOYSA-N
XLogP-0.25
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5,5-dimethyl-1-propylpiperazin-2-yl)methanol
CID 82241015
[(2R)-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-yl]methanol
CID 111487572
4-[2-(3,3-dimethyl-1,4-diazepan-1-yl)ethyl]morpholine
CID 82243835
4-[(5,5-dimethylpyrrolidin-3-yl)methyl]morpholine
CID 117269817
1-butyl-5,5-dimethyl-2-(2-methylpropyl)piperazine
CID 64838733
4-[3-(7-methyl-1,4-diazepan-1-yl)propyl]morpholine
CID 82243837
ethane;4-morpholin-4-ylbutan-1-ol
CID 162683886
[5-(2-morpholin-4-ylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-yl]methanol
CID 137344705
9-morpholin-4-ylnonan-1-ol
CID 58205558
20-morpholin-4-ylicosan-1-ol
CID 58205553
1-(3-morpholin-4-ylpropyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
CID 8668510
4-(3-methylsulfanylpropyl)morpholine
CID 2247110

Frequently Asked Questions

What is the IUPAC name of [5,5-dimethyl-1-(3-morpholin-4-ylpropyl)piperazin-2-yl]methanol?
The IUPAC name of [5,5-dimethyl-1-(3-morpholin-4-ylpropyl)piperazin-2-yl]methanol (CID 82247600) is [5,5-dimethyl-1-(3-morpholin-4-ylpropyl)piperazin-2-yl]methanol.
What is the SMILES notation for [5,5-dimethyl-1-(3-morpholin-4-ylpropyl)piperazin-2-yl]methanol?
The canonical SMILES for [5,5-dimethyl-1-(3-morpholin-4-ylpropyl)piperazin-2-yl]methanol is CC1(C)CN(CCCN2CCOCC2)C(CO)CN1.
What is the InChIKey of [5,5-dimethyl-1-(3-morpholin-4-ylpropyl)piperazin-2-yl]methanol?
The InChIKey is KSFUIPNUQVZPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-14(2)12-17(13(11-18)10-15-14)5-3-4-16-6-8-19-9-7-16/h13,15,18H,3-12H2,1-2H3.
What are the key properties of [5,5-dimethyl-1-(3-morpholin-4-ylpropyl)piperazin-2-yl]methanol?
[5,5-dimethyl-1-(3-morpholin-4-ylpropyl)piperazin-2-yl]methanol has a molecular weight of 271.40 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5,5-dimethyl-1-(3-morpholin-4-ylpropyl)piperazin-2-yl]methanol is sourced from PubChem (CID 82247600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).