(1S)-1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-ol

C16H28N4O — CID 103938701

IUPAC(1S)-1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(N2CCN(CCN(C)C)CC2)cn1
InChIInChI=1S/C16H28N4O/c1-4-16(21)15-6-5-14(13-17-15)20-11-9-19(10-12-20)8-7-18(2)3/h5-6,13,16,21H,4,7-12H2,1-3H3/t16-/m0/s1
InChIKeyDJLVDWAHCMUAKR-INIZCTEOSA-N
MW292.43 g/mol
LogP1.21
Rot. Bonds6

About (1S)-1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-ol

(1S)-1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-ol (PubChem CID 103938701) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is (1S)-1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-ol
PubChem CID103938701
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name(1S)-1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(N2CCN(CCN(C)C)CC2)cn1
InChIInChI=1S/C16H28N4O/c1-4-16(21)15-6-5-14(13-17-15)20-11-9-19(10-12-20)8-7-18(2)3/h5-6,13,16,21H,4,7-12H2,1-3H3/t16-/m0/s1
InChIKeyDJLVDWAHCMUAKR-INIZCTEOSA-N
XLogP1.21
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-amine
CID 115939557
1-[5-(4-butan-2-ylpiperazin-1-yl)-2-pyridinyl]propan-1-ol
CID 115940446
(1R)-1-[5-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]propan-1-ol
CID 103938687
(1S)-1-(5-thiomorpholin-4-yl-2-pyridinyl)propan-1-ol
CID 103938335
(1R)-1-[5-(4,4-diethylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
CID 103938741
1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
CID 112585215
(1R)-1-[5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938756
(1R)-1-[5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-pyridinyl]propan-1-ol
CID 103938818
(1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol
CID 113356003
1-[5-(1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-ol
CID 112585414
1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-ol
CID 112585309
1-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-4-methylazepan-4-ol
CID 107405251

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-ol?
The IUPAC name of (1S)-1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-ol (CID 103938701) is (1S)-1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-ol?
The canonical SMILES for (1S)-1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-ol is CC[C@H](O)c1ccc(N2CCN(CCN(C)C)CC2)cn1.
What is the InChIKey of (1S)-1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-ol?
The InChIKey is DJLVDWAHCMUAKR-INIZCTEOSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-16(21)15-6-5-14(13-17-15)20-11-9-19(10-12-20)8-7-18(2)3/h5-6,13,16,21H,4,7-12H2,1-3H3/t16-/m0/s1.
What are the key properties of (1S)-1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-ol?
(1S)-1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-ol has a molecular weight of 292.43 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 103938701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).