10-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]decan-1-ol

C21H38N4O — CID 19894566

IUPAC10-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]decan-1-ol
SMILESCCNc1cccnc1N1CCN(CCCCCCCCCCO)CC1
InChIInChI=1S/C21H38N4O/c1-2-22-20-12-11-13-23-21(20)25-17-15-24(16-18-25)14-9-7-5-3-4-6-8-10-19-26/h11-13,22,26H,2-10,14-19H2,1H3
InChIKeySKOUYYSWDHJYLM-UHFFFAOYSA-N
MW362.56 g/mol
LogP3.75
Rot. Bonds13

About 10-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]decan-1-ol

10-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]decan-1-ol (PubChem CID 19894566) has the molecular formula C21H38N4O and a molecular weight of 362.56 g/mol. Its IUPAC name is 10-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]decan-1-ol.

Molecular Properties

Compound Name10-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]decan-1-ol
PubChem CID19894566
Molecular FormulaC21H38N4O
Molecular Weight362.56 g/mol
Exact Mass362.30
IUPAC Name10-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]decan-1-ol
SMILESCCNc1cccnc1N1CCN(CCCCCCCCCCO)CC1
InChIInChI=1S/C21H38N4O/c1-2-22-20-12-11-13-23-21(20)25-17-15-24(16-18-25)14-9-7-5-3-4-6-8-10-19-26/h11-13,22,26H,2-10,14-19H2,1H3
InChIKeySKOUYYSWDHJYLM-UHFFFAOYSA-N
XLogP3.75
TPSA51.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine
CID 15953887
N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-sulfonamide
CID 902061
[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 57050933
6-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)piperazin-1-yl]hexan-1-ol
CID 70352248
4-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 62254406
N-pentyl-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676361
8-[2-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]ethoxy]-2-morpholin-4-ylchromen-4-one
CID 21460220
methyl 4-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate
CID 43462177
4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-ol
CID 110931563
4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]butanoic acid
CID 119994229
6-[4-(2-ethylsulfanylphenyl)piperazin-1-yl]hexan-1-ol
CID 97355562
1-cyclopropyl-1-(4-hydroxybutyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 111722528

Frequently Asked Questions

What is the IUPAC name of 10-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]decan-1-ol?
The IUPAC name of 10-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]decan-1-ol (CID 19894566) is 10-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]decan-1-ol.
What is the SMILES notation for 10-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]decan-1-ol?
The canonical SMILES for 10-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]decan-1-ol is CCNc1cccnc1N1CCN(CCCCCCCCCCO)CC1.
What is the InChIKey of 10-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]decan-1-ol?
The InChIKey is SKOUYYSWDHJYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O/c1-2-22-20-12-11-13-23-21(20)25-17-15-24(16-18-25)14-9-7-5-3-4-6-8-10-19-26/h11-13,22,26H,2-10,14-19H2,1H3.
What are the key properties of 10-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]decan-1-ol?
10-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]decan-1-ol has a molecular weight of 362.56 g/mol, XLogP of 3.75, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]decan-1-ol is sourced from PubChem (CID 19894566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).