1-[4-[(6-tert-butyl-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol

C18H31N3O — CID 134595629

IUPAC1-[4-[(6-tert-butyl-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCN(Cc2ccc(C(C)(C)C)nc2)CC1
InChIInChI=1S/C18H31N3O/c1-17(2,3)16-7-6-15(12-19-16)13-20-8-10-21(11-9-20)14-18(4,5)22/h6-7,12,22H,8-11,13-14H2,1-5H3
InChIKeyPQUNFAKRTKBYQJ-UHFFFAOYSA-N
MW305.47 g/mol
LogP2.27
Rot. Bonds4

About 1-[4-[(6-tert-butyl-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol

1-[4-[(6-tert-butyl-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol (PubChem CID 134595629) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is 1-[4-[(6-tert-butyl-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[(6-tert-butyl-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
PubChem CID134595629
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name1-[4-[(6-tert-butyl-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCN(Cc2ccc(C(C)(C)C)nc2)CC1
InChIInChI=1S/C18H31N3O/c1-17(2,3)16-7-6-15(12-19-16)13-20-8-10-21(11-9-20)14-18(4,5)22/h6-7,12,22H,8-11,13-14H2,1-5H3
InChIKeyPQUNFAKRTKBYQJ-UHFFFAOYSA-N
XLogP2.27
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 63102065
2-tert-butyl-5-(piperidin-1-ylmethyl)pyridine
CID 71286312
1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-4-ol
CID 134595430
2-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-ol
CID 63104400
(3S)-1-[(6-tert-butyl-3-pyridinyl)methyl]piperidin-3-ol
CID 134595793
2-[(2S)-4-[(6-tert-butyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]ethanol
CID 134595804
1-[(6-tert-butyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 134595460
1-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-ol
CID 110932473
1-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 115609180
2-[1-[(6-tert-butyl-3-pyridinyl)methyl]-5,5-difluoroazepan-4-yl]acetic acid
CID 166288962
1-[4-[(4-amino-2-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 79251536
2-methyl-1-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 63101709

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-tert-butyl-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[(6-tert-butyl-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol (CID 134595629) is 1-[4-[(6-tert-butyl-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[(6-tert-butyl-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[(6-tert-butyl-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol is CC(C)(O)CN1CCN(Cc2ccc(C(C)(C)C)nc2)CC1.
What is the InChIKey of 1-[4-[(6-tert-butyl-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol?
The InChIKey is PQUNFAKRTKBYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-17(2,3)16-7-6-15(12-19-16)13-20-8-10-21(11-9-20)14-18(4,5)22/h6-7,12,22H,8-11,13-14H2,1-5H3.
What are the key properties of 1-[4-[(6-tert-butyl-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol?
1-[4-[(6-tert-butyl-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol has a molecular weight of 305.47 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-tert-butyl-3-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 134595629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).