(2R)-1-[4-(1-methoxypropan-2-yl)piperazin-1-yl]butan-2-ol

C12H26N2O2 — CID 71918191

IUPAC(2R)-1-[4-(1-methoxypropan-2-yl)piperazin-1-yl]butan-2-ol
SMILESCC[C@@H](O)CN1CCN(C(C)COC)CC1
InChIInChI=1S/C12H26N2O2/c1-4-12(15)9-13-5-7-14(8-6-13)11(2)10-16-3/h11-12,15H,4-10H2,1-3H3/t11?,12-/m1/s1
InChIKeyYBFCRRZDWVMQJJ-PIJUOVFKSA-N
MW230.35 g/mol
LogP0.41
Rot. Bonds6

About (2R)-1-[4-(1-methoxypropan-2-yl)piperazin-1-yl]butan-2-ol

(2R)-1-[4-(1-methoxypropan-2-yl)piperazin-1-yl]butan-2-ol (PubChem CID 71918191) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (2R)-1-[4-(1-methoxypropan-2-yl)piperazin-1-yl]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-(1-methoxypropan-2-yl)piperazin-1-yl]butan-2-ol
PubChem CID71918191
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name(2R)-1-[4-(1-methoxypropan-2-yl)piperazin-1-yl]butan-2-ol
SMILESCC[C@@H](O)CN1CCN(C(C)COC)CC1
InChIInChI=1S/C12H26N2O2/c1-4-12(15)9-13-5-7-14(8-6-13)11(2)10-16-3/h11-12,15H,4-10H2,1-3H3/t11?,12-/m1/s1
InChIKeyYBFCRRZDWVMQJJ-PIJUOVFKSA-N
XLogP0.41
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-(N,N-Bis-(2-hydroxypropyl)-amino)-ethyl)-4-(2-hydroxypropyl)-piperazine
CID 98117
2,5-Dimethylpiperazine-1,4-diethanol
CID 73433
3,3'-(2-Methylpiperazine-1,4-diyl)dipropan-2-ol
CID 97925
alpha,alpha'-Dimethylpiperazine-1,4-diethanol
CID 96698
alpha,alpha',2,5-Tetramethylpiperazine-1,4-diethanol
CID 103795
4-(Morpholin-4-yl)butan-2-ol
CID 14555601
2-[4-[1-(Hydroxymethyl)propyl]piperazin-1-yl]butan-1-ol
CID 469987
morpholine, N-(2-(bis-2-hydroxypropyl)aminoethyl)-
CID 121014862
2-Ethyl-1-(2-methoxyethyl)-4-(3-methoxypropyl)piperazine
CID 53600163
1-[4-(2-Ethoxyethyl)piperazin-1-yl]propan-2-ol
CID 102556457
1-Fluoro-3-(4-propan-2-ylpiperazin-1-yl)propan-2-ol
CID 58080158
(2R)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 1549200

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(1-methoxypropan-2-yl)piperazin-1-yl]butan-2-ol?
The IUPAC name of (2R)-1-[4-(1-methoxypropan-2-yl)piperazin-1-yl]butan-2-ol (CID 71918191) is (2R)-1-[4-(1-methoxypropan-2-yl)piperazin-1-yl]butan-2-ol.
What is the SMILES notation for (2R)-1-[4-(1-methoxypropan-2-yl)piperazin-1-yl]butan-2-ol?
The canonical SMILES for (2R)-1-[4-(1-methoxypropan-2-yl)piperazin-1-yl]butan-2-ol is CC[C@@H](O)CN1CCN(C(C)COC)CC1.
What is the InChIKey of (2R)-1-[4-(1-methoxypropan-2-yl)piperazin-1-yl]butan-2-ol?
The InChIKey is YBFCRRZDWVMQJJ-PIJUOVFKSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-4-12(15)9-13-5-7-14(8-6-13)11(2)10-16-3/h11-12,15H,4-10H2,1-3H3/t11?,12-/m1/s1.
What are the key properties of (2R)-1-[4-(1-methoxypropan-2-yl)piperazin-1-yl]butan-2-ol?
(2R)-1-[4-(1-methoxypropan-2-yl)piperazin-1-yl]butan-2-ol has a molecular weight of 230.35 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(1-methoxypropan-2-yl)piperazin-1-yl]butan-2-ol is sourced from PubChem (CID 71918191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).